Publications (1980-1989)
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301. Rapidly Equilibrating
Unsymmetrically Bridged 1,3,4,7-Tetramethyl- and Rapidly Equilibrating
Trivalent 1,2,3,5,7-Pentamethyl-2-adamantyl Cations. Additivity of
13C NMR Chemical Shifts Relating the Classical vs. Nonclassical Nature
of Carbocations. Paul von Ragu¨¦ Schleyer, Dieter Lenoir, Pierre
Mison, Gao Liang, G.K. Surya Prakash, and George A. Olah. J. Am. Chem.
Soc. 1980, 102, 683-691.
302. Stabilization of Methyl Anions by First Row Substituents.
Timothy Clark, Heinrich Krner and Paul von Ragu¨¦ Schleyer.
Tetrahedron Lett. 1980, 21, 743- 746.
303. Isomeric Structures of Protonated Ozone: A Theoretical Study.
Michael Kausch and Paul von Ragu¨¦ Schleyer. J. Comp. Chem.
1980, 1, 94-98.
304. An Adamantane Rearrangement. A New Pathway. Paul von Ragu¨¦ Schleyer, Peter Grubmüller, Wilhelm F. Maier, and Otto Vostrowsky.
Tetrahedron Lett. 1980, 21, 921- 924.
305. Dissoziative Ringffnung halogensubstituierter Methylcyclopropan-Radikalkationen
in der Gasphase. Richard D. Bowen, Jayaraman Chandrasekhar, Gernot
Frenking, Paul von Ragu¨¦ Schleyer, Helmut Schwarz, Crysostomus
Wesdemiotis, and Dudley H. Williams. Chem. Ber. 1980, 113, 1084-1094.
306. Deuterium Isotope Effect on the E.S.R. Spectrum of Annulene
Radicals: a Reappraisal. Timothy Clark, Jayaraman Chandrasekhar,
Paul von Ragu¨¦ Schleyer, and Martin Saunders. J. Chem. Soc.,
Chem. Comm. 1980, 265-266.
307. Molecular Orbital Study of Tetrahedral, Planar, and Pyramidal
Structures of the Isoelectronic Series BH4-, CH4, NH4+, AlH4-, SiH4,
and PH4+. Mary-Beth Krogh- Jespersen, Jayaraman Chandrasekhar, Ernst-Ulrich
Würthwein, John B. Collins, and Paul von Ragu¨¦ Schleyer.
J. Am. Chem. Soc. 1980, 102, 2263-2268.
308. Bridgehead Reactivities of Ethanoadamantane. Bromination
and Solvolysis of Bromides. Eiji Osawa, Edward M. Engler, Stephen
A. Godleski, Yoshiaki Inamoto, Gerald J. Kent, Michael Kausch, and
Paul von Ragu¨¦ Schleyer. J. Org. Chem. 1980, 45, 984-991.
309. Hydrogenolysis of Alkyl-Substituted Adamantanes, Diamantanes,
and Triamantanes in the Gas Phase on a Nickel-Alumina Catalyst.
Peter Grubmüller, Wilhelm F. Maier, Paul von Ragu¨¦ Schleyer,
M. Anthony McKervey, and John J. Rooney. Chem. Ber. 1980, 113, 1989-2006.
310. Geometries and Relative Energies of Some C6H5+ and C5H5Si+
Isomers. Pyramidal (Nido) vs. Planar, Cyclic Structures. Karsten
Krogh-Jespersen, Jayaraman Chandrasekhar, and Paul von Ragu¨¦ Schleyer. J. Org. Chem. 1980, 45, 1608-1614.
311. C2Li6 Structural Isomers. Alexander Kos, Dieter Poppinger,
Paul von Ragu¨¦ Schleyer, and Walter Thiel. Tetrahedron Letters
1980, 21, 2151-2154.
312. The Structure of Carbon Trioxide. John A. Pople, Ute Seeger,
Rolf Seeger, and Paul von Ragu¨¦ Schleyer. J. Comp. Chem.
1980, 1, 199-203.
313. Experimenteller und theoretischer Nachweis der entarteten
Isomerisierung via Kohlenstoff-Platzwechsel bei Cyclopentylkation
in der Gasphase. Wilfried Franke, Helmut Schwarz, Helga Thies, Jayaraman
Chandrasekhar, Paul von Ragu¨¦ Schleyer, Warren J. Hehre,
Martin Saunders, and Gary Walker. Angew. Chem. 1980, 92, 488-490.
An Experimental and Theoretical Study of the Degenerate Carbon Skeleton
Isomerization of the Cyclopentyl Cation in the Gas Phase. Angew.
Chem., Intern. Ed. Engl. 1980, 6, 485-487.
314. 1H and 13C NMR Spectroscopic Study of 9-Fluorenyl Cations.
George A. Olah, G.K. Surya Prakash, Gao Liang, Philip W. Westerman,
Klaus Kunde, Jayaraman Chandrasekhar, and Paul von Ragu¨¦ Schleyer. J. Am. Chem. Soc. 1980, 102, 4485-4492.
315. Geometries and Energies of Dilithioethylene Isomers and of
Vinyl Lithium. An ab initio Study. Yitzhak Apeloig, Timothy Clark,
Alexander J. Kos, Eluvathingal D. Jemmis, and Paul von Ragu¨¦ Schleyer. Israel J. Chem. 1980, 20, 43-50.
316. Rearrangements of Carbocations. Martin Saunders, Jayaraman
Chandrasekhar, and Paul von Ragu¨¦ Schleyer. "Rearrangements
in Ground and Excited States" (Ed. P. de Mayo). Vol. 1, Academic
Press, New York, 1980, pp. 1-53.
317. 7Li-13C NMR coupling Constants and the Nature of Carbon-Lithium
Bond: INDO MO Calculations. Timothy Clark, Jayaraman Chandrasekhar,
and Paul von Ragu¨¦ Schleyer. J. Chem. Soc., Chem. Comm. 1980,
672-673.
318. Thermodynamic Rearrangements of Larger Polycyclic Hydrocarbons
Derived from the 38.5 and 41.5oC Melting Dimers of Cyclooctatetraene
Crystal and Molecular Structures of 5-Bromohyeptacyclo[8.6.0.0.2,8,-
03,13,o4,11,.05,9.012],]1]6]hexadecane, (5-Bromo- c(C2)- bisethanobisnordiamantane),
6,12- Dibromoheptacyclo[7.7.0.0.2,6. 0.3,15.0437,71,12.05,10.011,16]hexadecane,
and Nonocyclo[11.7.1. 12,18.o3,16.05,10.06,14.07,11- .015,20]docosane
(Bastardene). Eiji Osawa, Akio Furusaki, Nobuhiro Hashiba, Takeshi
Matsumoto, Vishwakarma Singh, Yuji Tahara, Erik Wiskott, Malvina
Farcasiu, Takeshi Iizuka, Nobuhide Tanaka, Tadayoshi Kan, and Paul von Ragu¨¦ Schleyer. J. Org. Chem. 1980, 45, 2985-2995.
319. Theoretical Study of the Isomeric Cyclopropylidenemethyl
and 1-Cyclobutenyl Cations, Unusually Stable Vinyl Cations. Yitzhak
Apeloig, John B. Collins, Dieter Cremer, Thomas Bally, Edwin Haselbach,
John A. Pople, Jayaraman Chandrasekhar, and Paul von Ragu¨¦ Schleyer. J. Org. Chem. 1980, 45, 3496- 3501.
320. A Theoretical Evaluation of the Synergetic Capto- Dative
Stabilization of Free Radicals. Debbie Crans, Timothy Clark, and
Paul von Ragu¨¦ Schleyer. Tetrahedron Lett. 1980, 3681-3684.
321. The Symmetrically Bridged Structure of Allyllithium. Wolfgang
Neugebauer and Paul von Ragu¨¦ Schleyer. J.Organomet. Chem.
1980, 198, C1-C3.
322. Catalytic Hydrogenolysis; III. Direct Transformation of Cyano
into Methyl Groups. Juan G. Andrade, Wilhelm F. Maier, Lothar Zapf,
Paul von Ragu¨¦ Schleyer. Synthesis 1980, 802-803.
323. Pseudorotational Isomers of Wittig Intermediates. Structures
and Relative Energies. Hans-Jürgen Bestmann, Jayaraman Chandrasekhar,
William G. Downey, and Paul von Ragu¨¦ Schleyer. J. Chem.
Soc., Chem. Comm. 1980, 978-980.
324. Small Elemental Clusters. I. The Structures of Be2, Be3,
Be4, and Be5. Robert A. Whiteside, Krishnan Raghavachari, John A.
Pople, Mary-Beth Krogh- Jespersen, and Paul von Ragu¨¦ Schleyer.
J. Comp. Chem. 1980, 1, 307-322.
325. Cyclic 4 Stabilization. Combined Mbius-Hückel Aromaticity
in Doubly Lithium Bridged R4C4Li2 Systems. Alexander J. Kos and
Paul von Ragu¨¦ Schleyer. J. Am. Chem. Soc. 1980, 102, 7928-7929.
326. The Isomeric Structures of SiH2LiF. Timothy Clark and Paul von Ragu¨¦ Schleyer. J. Organomet. Chem. 1980, 191, 347-353.
327. Evaluation of the Extra Stability of the Bridged 2- Norbornyl Cation. Paul von Ragu¨¦ Schleyer and Jayaraman Chandrasekhar. J. Org. Chem. 1981, 46, 225- 227. 328. The [4.4.4.4]Fenestranes and [2.2.2.2]Paddlane. Prospects for the Realization of Planar Tetracoordinate Carbon? Ernst-Ulrich Würthwein, Jayaraman Chandrasekhar, Eluvathingal D. Jemmis, and Paul von Ragu¨¦ Schleyer. Tetrahedron Lett. 1981, 22, 843-846. Erratum: Tetrahedron Lett. 1982, 23, 3306. 329. Remote Inductive Effects on Secondary and Tertiary 2- Norbornyl Solvolysis Rates. Yitzhak Apeloig, Dorit Arad, Dieter Lenoir, and Paul von Ragu¨¦ Schleyer. Tetrahedron Lett. 1981, 22, 879-882. 330. Conformational Preference of 34 Valence Electron A2X4 Molecules: An Ab Initio Study of B2F4, B2Cl4, and C2O42-. Timothy Clark and Paul von Ragu¨¦ Schleyer. J. Comp. Chem. 1981, 2, 20-29. 331. On the Planarity of Tetracoordinate Carbon Enclosed by Annulene Perimeters. Jayaraman Chandrasekhar, Ernst- Ulrich Würthwein, and Paul von Ragu¨¦ Schleyer. Tetrahedron 1981, 37, 921-927. 332. Elusiveness of Bishomoaromaticity in Anionic Systems. The Bicyclo[3.2.2]octa-3,6-dien-2-yl Anion. Elmar Kaufmann, Herbert Mayr, Jayaraman Chandrasekhar, and Paul von Ragu¨¦ Schleyer. J. Am. Chem. Soc. 1981, 103, 1375-1380. 333. Planar Tetracoordinate Carbon Candidates: MNDO Calculations on Substituted Phenyllithium Dimers. Jayaraman Chandrasekhar and Paul von Ragu¨¦ Schleyer. J. Chem. Soc., Chem. Comm. 1981, 260-261. 334. Adamantane Rearrangement Mechanisms. 1,2- Trimethylenenorbornanes. Malvina Farcasiu, Edward W. Hagaman, Ernest Wenkert, and Paul von Ragu¨¦ Schleyer. Tetrahedron Lett. 1981, 1501-1504. 335. Bicyclo[1.1.0]butadiene (Trialene): An Experimentally Viable Molecule? Juan G. Andrade, Jayaraman Chandrasekhar, and Paul von Ragu¨¦ Schleyer. J. Comp. Chem. 1981, 2, 207-211. 336. Evaluation and Prediction of the Stability of Bridgehead Olefins. Wilhelm F. Maier and Paul von Ragu¨¦ Schleyer. J. Am. Chem. Soc. 1981, 103, 1891- 1900. 337. The Systematic Prediction of the Most Stable Neutral Hydrocarbon Isomer. Stephen A. Godleski, Paul von Ragu¨¦ Schleyer, Eiji Osawa, and Todd Wipke. Progr. Phys. Org. Chem. 1981, 13, 63-117. 338. Structures of C4. Robert A. Whiteside, Krishnan Raghavachari, Douglas J. DeFrees, John A. Pople, and Paul von Ragu¨¦ Schleyer. Chem. Phys. Lett. 1981, 78, 538-540. 339. The Structure of CCH+. R. Krishnan, M.J. Frisch, R.A. Whiteside, J.A. Pople, and P.v.R. Schleyer. J. Chem. Phys. 1981, 74, 4213-4214. 340. The Vinylidene-Acetylene Isomerization Barrier. Krishnan Raghavachari, Michael J. Frisch, John A. Pople, and Paul von Ragu¨¦ Schleyer. Chem. Phys. Lett. 1981, 79, 408-411. 341. Aromaticity in Small Rings Containing Boron and Carbon ((CH)2(BH)n, n=1,2). Comparisons with Isoelectronic Carbocations. The Decisive Roles of Orbital Mixing and Nonbonded 1,3-Interactions in the Structures of Four- Membered Rings. K. Krogh-Jespersen, D. Cremer, J.D. Dill, J.A. Pople, and P.v.R. Schleyer. J. Am. Chem. Soc. 1981, 103, 2589-2594. 342. Structures of -Lithiomethanol and - Lithiomethylamine; an Ab Initio Study. T. Clark, P.v.R. Schleyer, K.N. Houk, and N.G. Rondan. J. Chem. Soc., Chem. Comm. 1981, 579-581. 343. Alternative Mechanisms for Cyanide Anion Exchange with Acetonitrile. Juan G. Andrade, Timothy Clark, Jayaraman Chandrasekhar, and Paul von Ragu¨¦ Schleyer. Tetrahedron Lett. 1981, 22, 2957-2960. 344. Carbodications. I. The Structures and Energies of C4H42+ Isomers. Jayaraman Chandrasekhar, Paul von Ragu¨¦ Schleyer, and Karsten Krogh-Jespersen. J. Comp. Chem. 1981, 2, 356-360. 345. Cyclic C3 Structures. Robert A. Whiteside, Raghavachari Krishnan, Michael J. Frisch, John A. Pople, and Paul von Ragu¨¦ Schleyer. Chem. Phys. Lett. 1981, 80, 547-551. 346. Entartete Isomerisierung via Kohlenstoff-Platzwechsel beim Cyclopentyl Kation in der Gasphase. Experimenteller und theoretischer Nachweis der Existenz eines pyramidalen C5H9+-Kations bei der unimolekularen Ethylen-Eliminierung. Wilfried Franke, Helmut Schwarz, Helga Thies, Jayaraman Chandrasekhar, Paul von Ragu¨¦ Schleyer, Warren J. Hehre, Martin Saunders, and Gary Walker. Chem. Ber. 1981, 114, 2808- 2824. 347. The Relationship Between the Energies of Carbanions, R-, and their Lithiated Counterparts, RLi. An Ab Initio Study. Paul von Ragu¨¦ Schleyer, Jayaraman Chandrasekhar, Alexander J. Kos, Timothy Clark, and Günther W. Spitznagel. J. Chem. Soc., Chem. Comm. 1981, 882-884. 348. 1,2-Dilithioethane. A Molecular Orbital Study. Alexander J. Kos, Eluvathingal D. Jemmis, Paul von Ragu¨¦ Schleyer, Rolf Gleiter, Ursula Fischbach, and John A. Pople. J. Am. Chem. Soc. 1981, 103, 4996-5002. 349. The SN2-SN1 Spectrum. 3. Solvolyses of Secondary and Tertiary Alkyl Sulfonates in Fluorinated Alcohols. Further Evidence for the SN2 (Intermediate) Mechanism. T. William Bentley, Christine T. Bowen, David H. Morten, and Paul von Ragu¨¦ Schleyer. J. Am. Chem. Soc. 1981, 103, 5466-5475. 350. Efficient and Accurate Calculation of Anion Proton Affinities. Jayaraman Chandrasekhar, Juan G. Andrade, and Paul von Ragu¨¦ Schleyer. J. Am. Chem. Soc. 1981, 103, 5609-5612. 351. Thermodynamic Stability of Carbonyl Anions, R-C- = 0. A Molecular Orbital Examination. Jayaraman Chandrasekhar, Juan G. Andrade, and Paul von Ragu¨¦ Schleyer. J.. Am. Chem. Soc. 1981, 103, 5612-5614. 352. Molecular Orbital Theory of the Electronic Structure of Organic Molecules. 40.Structures and Energies of C1-C3 Carbocations, Including Effects of Electron Correlation. Krishnan Raghavachari, Robert A. Whiteside, John A. Pople, and Paul von Ragu¨¦ Schleyer. J. Am. Chem. Soc. 1981, 103, 5649-5657. 353. Dipole Stabilization of -Heteroatom Carbanions: Theory and Experiment. N.G. Rondan, K.N. Houk, P. Beak, W.J. Zajdel, J. Chandrasekhar, and P.v.R. Schleyer. J. Org. Chem. 1981, 46, 4108-4110. 354. Heterogeneous Deoxygenation of Ketones. W.F. Maier, K. Bergmann, W. Bleicher, and P.v.R. Schleyer. Tetrahedron Lett. 1981, 22, 4227-4230. 355. The Stability of Fluorovinylidene and Difluorovinylidene. Michael J. Frisch, Krishnan Raghavachari, John A. Pople, and Paul von Ragu¨¦ Schleyer. Chem. Phys. Lett. 1981, 81, 421-423. 356. Exo/Endo Solvolysis Rate Ratios in Constrained 2- Norbornyl Systems. J. Eric Nordlander, Jeffrey R. Neff, Walter B. Moore, Yitzhak Apeloig, Dorit Arad, Stephen A. Godleski, and Paul von Ragu¨¦ Schleyer. Tetrahedron Lett. 1981, 22, 4921-4924. 357. - vs ß-Protonation of Pyrrole, Furan, Thiophene and Cyclopentadiene. Gas Phase Proton and Hydrogen Affinities. The Bishomocyclopropenyl Cation. Raymond Houriet, Helmut Schwarz, Waltraud Zummack, Juan G. - Andrade, and Paul von Ragu¨¦ Schleyer. Nouv. J. Chim. 1981, 5, 505-509. 358. Structures of Complex Beryllium Hydrides and Fluorides, LiBeX3 and Li2BeX4. Ernst-Ulrich Würthwein, Mary-Beth Krogh-Jespersen, and Paul von Ragu¨¦ Schleyer. Inorg. Chem. 1981, 20, 3663-3667. 359. Vinyl Cations. Comparisons of Gas-Phase Thermodynamic and Solvolysis Data with ab Initio MO Calculations. Herbert Mayr, Reinhard Schneider, Dieter Wilhelm, and Paul von Ragu¨¦ Schleyer. J. Org. Chem. 1981, 46, 5336- 5340.
360. Hydrogenolysis, IV. Gas Phase Decarboxylation of Carboxylic Acids. Wilhelm F. Maier, Wolfgang Roth, Irina Thies, and Paul von Ragu¨¦ Schleyer. Chem. Ber. 1982, 115, 808-812. 361. Simple Carbenium Ions with Electropositive - Substituents. J.A. Pople, Y. Apeloig, and P.v.R. Schleyer. Chem. Phys. Lett. 1982, 85, 489-492. 362. The Preferred Structure of C2H2-. Jayaraman Chandrasekhar, Richard A. Kahn, and Paul von Ragu¨¦ Schleyer. Chem. Phys. Lett. 1982, 85, 493-495. 363. Regioselektive Dimetallierung von Aromaten. Bequemer Zugang zu 2,2'-Disubstituierten Biphenylderivaten. Wolfgang Neugebauer, Alexander J. Kos und Paul von Ragu¨¦ Schleyer. J. Organomet. Chem. 1982, 228, 107- 118. 364. The Ground-State Singlet Potential Surface for C2H4. Krishnan Raghavachari, Michael J. Frisch, John A. Pople, and Paul von Ragu¨¦ Schleyer. Chem. Phys. Lett. 1982, 85, 145-149. 365. Heterogeneous Catalysis, VI. Direct Reduction of Alcohols to Hydrocarbons. Wilhelm F. Maier, Irina Thies, and Paul von Ragu¨¦ Schleyer. Z. Naturforsch. 1982, 37b, 392-394. 366. Structure and Conformation of 1,4-Dihydrobenzene, 1,4- Dihydronaphthalene, and 9,10-Dihydroanthracene. A Theoretical Study. Kenny B. Lipkowitz, Peter W. Rabideau, Douglas J. Raber, Linda E. Hardee, Paul von Ragu¨¦ Schleyer, Alexander J. Kos, and Richard A. Kahn. J. Org. Chem. 1982, 47, 1002-1005. 367. Solvolytic and Stable Ion Studies of 1,1'- Diadamantylmethyl Cations. George A. Olah, G.K. Surya Prakash, Gao Liang, Paul von Ragu¨¦ Schleyer, and David Graham. J. Org. Chem. 1982, 47, 1040-1047. 368. Symmetrical Double Bridging in Dilithiated Propene, CH2CHCHLi2. Paul von Ragu¨¦ Schleyer and Alexander J. Kos. J. Chem. Soc., Chem. Comm. 1982, 448-450. 369. A Comment on the Mechanism of Enantiotopomerization of Tetrahedral Boron Chelates; Model MNDO Calculations. Paul von Ragu¨¦ Schleyer and Ernst-Ulrich Würthwein. J. Chem. Soc., Chem. Comm. 1982, 542-543. 370. Fused and Bridged Tetracyclic C13 and C14 Adamantanes. Synthesis of Methyl-2,4-ethano, 1,2-Trimethylene-, 2,4-Trimethylene-, and 1,2-Tetramethyleneadamantane. Eiji Osawa, Y. Tahara, A. Togashi, Takeshi Iizuka, Nobuhide Tanaka, Tadayoshi Kan, Dan Farcasiu, Gerald J. Kent, Edward M. Engler, and Paul von Ragu¨¦ Schleyer. J. Org. Chem. 1982, 47, 1923-1932. 371. The Structure and Stability of Dications Derived From Methane. John A. Pople, Bruce Tidor, and Paul von Ragu¨¦ Schleyer. Chem. Phys. Lett. 1982, 88, 533-537. 372. Remarkable Stabilities, Geometries, and Electronic States of Lithium-Substituted Carbenium Ions, CLi3- nHn+ (n=0-3), and the Corresponding Radicals. J. Chandrasekhar, J.A. Pople, R. Seeger, U. Seeger, and P.v.R. Schleyer. J. Am. Chem. Soc. 1982, 104, 3651- 3655. 373. Carbenium-Carbonium Structures, H2C+-CH4+, for the Ethane Dication. P.v.R. Schleyer, A.J. Kos, J.A. Pople, and A.T. Balaban. J. Am. Chem. Soc. 1982, 104, 3771-3773. 374. Stabilization of Methyl Anions by First-Row Substituents. The Superiority of Diffuse Function- Augmented Basis Set for Anion Calculations. Günther W. Spitznagel, Timothy Clark, Jayaraman Chandrasekhar, and Paul von Ragu¨¦ Schleyer. J. Comp. Chem. 1982, 3, 363-371. 375. (CH2LiF)2: The Effect of Dimerization on the Structure and Dissociation Energy of Carbenoids. Cornelia Rohde, Timothy Clark, Elmar Kaufmann, and Paul von Ragu¨¦ Schleyer. J. Chem. Soc., Chem. Commun. 1982, 882-884. 376. Y vs. Cyclic Delocalization in Small Ring Dications and Dianions: The Dominance of Charge Repulsion over Hückel Aromaticity. Timothy Clark, Dieter Wilhelm, and Paul von Ragu¨¦ Schleyer. Tetrahedron Letters 1982, 23, 3647-3550. 377. Lithiated Carbocations. The Generation, Structure, and Stability of CLi5+. Eluvathingal D. Jemmis, Jayaraman Chandrasekhar, Ernst-Ulrich Würthwein, and Paul von Ragu¨¦ Schleyer. J. Am. Chem. Soc. 1982, 104, 4275- 4276. 378. Aromaticity in Three Dimensions. 4. Influence of Orbital Compatibility on the Geometry and Stability of Capped Annulene Rings with Six Interstitial Electrons. Eluvathingal D. Jemmis and Paul von Ragu¨¦ Schleyer. J. Am. Chem. Soc. 1982, 104, 4781-4788. 379. Polymethylenebiphenyl Polyanions by Metallation- Elimination. Dieter Wilhelm, Timothy Clark, and Paul von Ragu¨¦ Schleyer. Tetrahedron Letters 1982, 23, 4077-4078. 380. Symmetrical Double Lithium Bridging in 2,2'- Di(lithium-tmeda)biphenyl (tmeda = Me2NCH2CH2NMe2): Experimental Confirmation of Theoretical predictions.Ulrich Schubert, Wolfgang Neugebauer, and Paul von Rague' Schleyer. J. Chem. Soc., Chem. Commun. 1982, 1184-1185. 381. The Non-Planar Structure of the Triplet Methyl Cation. J.A. Pople and P.v.R. Schleyer. Chem. Phys. Lett. 1982, 91, 9-11. 382. 4-(1-Adamantyl)homoadamant-3-ene: An Extraordinary Stable Bridgehead Olefin. Simon F. Sellers, Theodorus C. Klebach, Frederic Hollowood, Maitland Jones,Jr., and Paul von Ragu¨¦ Schleyer. J. Am. Chem. Soc. 1982, 104, 5492-5493. 383. Herstellung von Butatrienylaminen aus Buteninylaminen. Lambert Brandsma, Peter E. van Rijn, Hermann D. Verkruijsse, and Paul von Ragu¨¦ Schleyer. Angew. Chem. 1982, 94, 875. Preparation of Butatrienylamines from Butenylamines. Angew. Chem., Int. Ed. Engl. 1982, 21, 862-863. 384. Effectively Hypervalent First-Row Molecules. 1. Octet- Rule Violations by OLi3 and OLi4. Paul von Ragu¨¦ Schleyer, Ernst-Ulrich Würthwein, and John A. Pople. J. Am. Chem. Soc. 1982, 104, 5839-5841. 385. The Structure and Stability of the Acetylene Dication. John A. Pople, Michael J. Frisch, Krishnan Raghavachari, and Paul von Ragu¨¦ Schleyer. J. Comp. Chem. 1982, 3, 468-470.
386. Synthese von Borirenen und Diboretenen - eine neue Klasse 2 -aromatischer Verbindungen. Sies M. van der Kerk, Peter H.M. Budzelaar, Anca van der Kerk-van Hoof, Gerrit J.M. van der Kerk und Paul von Ragu¨¦ Schleyer. Angew.Chemie. 1983, 95, 61. Synthesis of Borirenes and Diboretenes - a novel Class of 2 -aromatic Compounds. 385. 387. Are CLi6, NLi5, OLi4, etc. Hypervalent? Paul von Ragu¨¦ Schleyer. New Horizons of Quantum Chemistry (Eds. P.O. Lwdin and B. Pullmann) 1983, pp. 95-109. 388. Proton-catalysed Isomerization of Cumulenic Amines. Peter E. van Rijn, Willem Klop, Hermann D. Verkruijsse, Paul von Ragu¨¦ Schleyer and Lambert Brandsma. J.Chem.Soc., Chem.Comm. 1983, 79-80. 389. Lithium Synthetic Reagents: Dimerization and Intramolecular Association. Double Bridging in "Dianions". Paul von Ragu¨¦ Schleyer. Pure and Appl.Chem. 1983, 55, 355-362. 390. The Metallation-Elimination Reaction, II. Monicyclic Anions and Polyanions. Dieter Wilhelm, Timothy Clark, Thomas Friedl and Paul von Ragu¨¦ Schleyer. Chem.Ber. 1983, 116, 751-760. 391. A Molecular Orbital Study of Some Lithium Ion Complexes. Janet E. Del Bene, Michael Frisch, Krishnan Raghavachari, John A. Pople and Paul von Ragu¨¦ Schleyer. J.Phys. Chem. 1983 87, 73-78. 392. Lithium-Stabilized Methanonium Ions, CLi5-n Hn+. A Theoretical Study. Paul von Ragu¨¦ Schleyer, Bruce Tidor, Eluvathingal D. Jemmis, Jayaraman Chandrasekhar, Ernst-Ulrich Würthwein, Alexander J. Kos. Brian T. Luke and John A. Pople. J.Am.Chem.Soc., 1983, 105, 484-491. 393. Carbodications: An Emerging Class of Remarkable Molecules. Paul von Ragu¨¦ Schleyer. Division of Petroleum Chemistry. Am.Chem.Soc. Reprints, 1983, 28, 413-418. 394. Structures and Energies of C6H62+ Isomers. Fragmentation into C5H3+ and CH3+1. Koop Lammertsma and Paul von Ragu¨¦ Schleyer. J. Am.Chem.Soc. 1983, 105, 1049-1051. 395. Lithiated Ammonia, Amide Anions, and Ammonium Ions. Ab ab inito Study of Structures, Bonding, and Energetic Relationships. Ernst-Ulrich Würthwein, K.D. Sen, John A. Pople and Paul von Ragu¨¦ Schleyer. Inorg.Chem. 1983, 22, 496-503. 396. Radical Anion Reactions in n-Butyl-lithium-Potassium t-Pentyl Oxide Mixtures. Dieter Wilhelm, Timothy Clark and Paul von Ragu¨¦ Schleyer. J. Chem. Soc., Chem.Comm. 1983, 211-213. 397. Das Tribenzylidenmethan-Dianion. Dieter Wilhelm, Timothy Clark, Paul von Ragu¨¦ Schleyer, Klaus Buckl and Gernot Boche. Chem.Ber. 1983, 116, 1669-1673. 398. The Structure and Energy of SiH5+. Comparisons with CH5+ and BH5. Paul von Ragu¨¦ Schleyer, Yitzhak Apeloig, Dorit Arad, Brian T. Luke and John A. Pople. Chem. Phys. Lett. 1983, 95, 477-482. 399. The Importance of Negative (Anionic) Hyperconjugation. Paul von Ragu¨¦ Schleyer and Alexander J.Kos. Tetrahedron 1983, 39, 1141-1150. 400. Mechanism of Hydroboration in Ether Solvents. A Model ab initio Study. Timothy Clark, Dieter Wilhelm and Paul von Ragu¨¦ Schleyer. J.Chem.Soc., Chem. Comm. 1983, 606-608. 401. A Theoretical Comparison of the Lowest-Lying Singlet and Triplet States of H2CBE and of HCBeH. Brian T. Luke, John A. Pople and Paul von Ragu¨¦ Schleyer. Chem.Phys.Lett. 1983, 97, 265-269. 402. ß-Substituted Cyclopropyl Radicals. Timothy Clark, Alexander J. Kos, Paul von Ragu¨¦ Schleyer. Wilhelm P. Cofino, Willem H. De Wolf and Friedrich Bickelhaupt. J. Chem. Soc., Chem.Comm. 1983, 685-687. 403. Efficient Diffuse Function-Augmented Basis Sets for Anion Calculations.III The 3-21+G Basis Set for First- Row Elements, Li-F. Timothy Clark, Jayaraman Chandrasekhar, Günther W. Spitznagel and Paul von Ragu¨¦ Schleyer. J. Comp. Chem. 1983, 4, 294-301. 404. The Stereochemistry of the Dibenzylidene-Ethylene Dianion. Dieter Wilhelm, Timothy Clark and Paul von Ragu¨¦ Schleyer. Tetrahedron Letters, 1983, 24, 3985- 3988. 405. 1,1-Dilithioethan. Adalbert Maercker, Manfred Theis, Alexander J. Kos and Paul von Ragu¨¦ Schleyer. Angew. Chem. 1983, 95, 755-757. 1,1-Dilithioethane. Angew. Chem., Intern. Ed. Engl. 1983, 22, 733-734. 406. The Ethylene Dication: A Theoretical Study of the C2H42+ Potential Energy Surface. Koop Lammertsma, Mario Barzahgi, George A. Olah, John A. Pople, Alexander J. Kos and Paul von Ragu¨¦ Schleyer. J. Am. Chem. Soc. 1983, 105, 5252-5257. 407. Structure and Stability of Diprotonated Methane, CH62+. Koop Lammertsma, Mario Barzahgi, George A. Olah, John A. Pople, Paul von Ragu¨¦ Schleyer and Massimo Simonetta. J. Am. Chem. Soc. 1983, 105, 5258- 5263. 408. Effects of Electron Correlation on the Energies of 2- Norbornyl Cation Structures. Evaluation of the Nonclassical Stabilization Energy. Krishnan Raghavachari, Robert C. Haddon, Paul von Ragu¨¦ Schleyer and Henry F. Schaefer III. J. Am. Chem. Soc. 1983, 105, 5915-5917. 409. Theoretical Structure of the B2H7- Anion. Krishnan Raghavachari, Paul von Ragu¨¦ Schleyer and Günther W. Spitznagel. J. Am. Chem. Soc. 1983, 105, 5917-5918. 410. CLi5, CLi6, and the Related Effectively Hypervalent First-Row Molecules, CLi5-nHn and CLi6-nH. Paul von Ragu¨¦ Schleyer, Ernst-Ulrich Würthwein, Elmar Kaufmann, Timothy Clark and John A. Pople. J. Am. Chem. Soc. 1983, 105, 5930-5932. 411. Regioselektive Metallierung von Aromaten, II. Zweitmetallierung von 1-Lithionaphtalin and 9- Lithioanthracen. Wolfgang Neugebauer, Timothy Clark and Paul von Ragu¨¦ Schleyer. Chem. Ber. 1983, 110, 3283-3292. 412. Acetylene, Vinylidene, and the Vinyl Cation in Ground and Excited States. G. Winkelhofer, R. Janoscheck, F. Fratev and Paul von Ragu¨¦ Schleyer. Croatica Chemica Acta 1983, 56, 509-524. 413. The 1,2-Hydride Shift Barrier in the Phenyl Cation. An ab initio study. Paul von Ragu¨¦ Schleyer, Alexander J. Kos and Krishnan Raghavachari. J. Chem. Soc., Chem. Comm. 1983, 1296-1298. 414. Allyllithium, Allylsodium, and Allylmagnesium Hydride. Geometries and Bonding. A Comparatiave ab initio study. T. Clark, C. Rohde, and P.v.R. Schleyer. Organometallics 1983, 2, 1344-1351. 415. Theoretical Study of the Carbenoid CH2FLi: Structures and Energies of the Stable Configurations and Transition States. Brian T. Luke, John a. Pople, Paul von Ragu¨¦ Schleyer and Timothy Clark. Chem. Phys. Lett. 1983, 102, 148-154. 416. Comprehensive Theoretical Study of Isomers and Rearrangement Barriers of Even-Electron Polyatomic Molecules HmABHn (A, B = C, N, O, and F). John A. Pople, Krishnan Raghavachari, Michael J. Frisch, J. Stephen Binkley and Paul von Ragu¨¦ Schleyer. J. Am. Chem. Soc. 1983, 105, 6389-6398. 417. Structures and Relative Energies of Silabenzene Isomers. Jayaraman Chandrasekhar, Paul von Ragu¨¦ Schleyer, R.O.W. Baumgärtner and M.T. Reetz. J. Org. Chem. 1983, 48, 3453-3457. 418. Transition Structure for the Reaction of a Carbenoid, LiCH2F, with Ethylene. Jiri Mareda, Nelson G. Rondan, K.N. Houk, Timothy Clark and Paul von Ragu¨¦ Schleyer. J. Am. Chem. Soc. 1983, 105, 6997-6999. 419. Heterogene Katalyse, VII. Gasphasenhydrogenolyse von Polyhalogen verbindungen. Eine Mglichkeit zur Beseitigung chemischer Gift- und Abfallstoffe. Heterogeneous Catalysis, VII. Gas Phase Hydrogenolysis of Polyhalogenated Compounds. Possible Decontamination of Poisonous Wastes. Wolfgang Roth and Paul von Ragu¨¦ Schleyer. Z.f.Naturforschung 1983, 38b, 1697-1699. 420. On the Structure and
Stability of 1,3-Dilithopropanes and Other , -Dilithialkanes. The
importance of LiH Complexes as Structural Alternatives and Reaction
Intermediates. Paul von Ragu¨¦ Schleyer, Alexander J. Kos
and Elmar Kaufmann. J. Am. Chem. Soc. 1983, 105, 7617-7623.
421. Remarkable Structures of Lithium Compounds. Paul von Ragu¨¦ Schleyer. Pure and Applied Chem. 1984, 56, 151- 162. 422. Reactions of Polyanions Derived from Alkylbenzenes. Dieter Wilhelm, Timothy Clark, Paul von Ragu¨¦ Schleyer, John L. Courtneidge and Alwyn G. Davies. J. Am. Chem. Soc. 1984, 106, 361-367. 423. On the Stabili-->-->of Trimethylenemethane Dications. Karl Schtz, Timothy Clark, Hans Schaller and Paul von Ragu¨¦ Schleyer. J. Org. Chem. 1984, 49, 733-735. 424. Dimerization Energies of Lithium Compounds with First- Row Substituents. Elmar Kaufmann, Timothy Clark, and Paul von Ragu¨¦ Schleyer. J. Am. Chem. Soc. 1984, 106, 1856-1858. 425. On the Nature of LiH2. Paval Hobza and Paul von Ragu¨¦ Schleyer. Chem. Phys. Lett. 1984, 105, 630-633. 426. Experimental and Theoretical Studies on the Charge Stripping from CH3X+ and CH2XH+. Ions (X=F, C1, Br, I OH, SH, or NH2). Francis Maquin, Daniel Stahl, Andrej Sawaryn, Paul von Ragu¨¦ Schleyer, Wolfram Koch, Gernot Frenking, and Helmut Schwarz. J. Chem. Soc., Chem. Commun. 1984, 504-506. 427. Ring Opening of a Bicyclo[3.3.O]octadienediyl Dianion. Dieter Wilhelm, Timothy Clark, Paul von Ragu¨¦ Schleyer, and Alwyn G. Davies. J. Chem. Soc., Chem. Commun. 1984, 558-559. 428. Y-Conjugated Dianions: a Comparison between the 1,1- Dibenzylethylene and Diphenylacetone-derived Dianions. Dieter Wilhelm, Timothy Clark and Paul von Ragu¨¦ Schleyer. J. Chem. Soc. Perkin Trans. II 1984, 915- 920. 429. 1,2-Dihydroboret: Struktur eines potentiell homoaromatischen Systems. Dieter Cremer, Jürgen Gauß, Paul von Ragu¨¦ Schleyer und Peter H.M. Budzelaar. Angew. Chem. 1984, 96, 370-371. 1,2- Dihydroborete: Structure of a Potential Homoaromatic System. Angew. Chem., Intern. Ed. Engl. 1984, 23, 370- 371. 430. Gefaltete Strukturen von 1,3-Dihydro-1,3-diboreten und Bicyclobutan-2,4-dion: Nicht-planare 2 -Hückel- aromatische Moleküle. Paul von Ragu¨¦ Schleyer, Peter H.M. Budzelaar, Dieter Cremer und Elfi Kraka. Angew. Chem. 1984, 96, 374-375. Puckered Structures of 1,3- Dihydro-1,3-diboretes and Bicyclobutane-2,4 dione: Nonplanar Hückel 2 -Electron Aromatic Molecules. Angew. Chem., Intern. Ed. Engl. 1984, 23, 374-375. 431. Structures and Energies of Lithium Amide Dimers and Trimers: An ab inito Study. Anne-Marie Sapse, Elmar Kaufmann, Paul von Ragu¨¦ Schleyer, and Rolf Gleiter. Inorg. Chem. 1984, 23, 1569-1574. 432. Die ab-initio Berechnung der Struktur von 1,3- Dilithioaceton. Alexander J. Kos, Timothy Clark, and Paul von Ragu¨¦ Schleyer. Angew. Chem. 1984, 96, 622- 623. The ab initio Calculations of the Structure of 1,3-dilithiacetone. Angew. Chem., Intern. Ed. Engl. 1984, 23, 620-621. 433. Struktur eines Y-konjugierten Dilithium-Salzes eines , `-Ketodianions: 1,3-Dilithiodibenzylketon- (Me2NCH2CH2NMe2)2. Angew. Chem. 1984, 96, 623-625. Alexander T. Kos, Timothy Clark, and Paul von Ragu¨¦ Schleyer. Structure of a Y-conjugated Dilithium Salt of an , `-Keto Dianion: 1,3-Dilithiodibenzyl Ketone- (Me2NCH2CH2NMe2)2. Angew. Chem., Intern. Ed. Engl. 1984, 23, 621-622. 434. Reactions of Methane with Unsaturated Hydrocarbons in the Presence of Nickel Catalysts. Ingolf D. Lffler, Wilhelm F. Maier, Juan G. Andrade, Irina Thies, and Paul von Ragu¨¦ Schleyer. J. Chem. Soc., Chem. Commun. 1984, 1177-1179. 435. Substituents Effects on the Geometries and Energies of Cyclopropanes and the Corresponding 2-Propyl Derivatives. Timothy Clark, Günther W. Spitznagel, Ronald Klose, and Paul von Ragu¨¦ Schleyer. J. Chem. Soc. 1984, 106, 4412-4419. 436. First Observation of He22+: Charge Stripping of He2+ Using a Double-Focusing Mass Spectrometer. M. Guilhaus, A. G. Brenton, J. H. Beynon, R. Rabrenovic and Paul von Ragu¨¦ Schleyer. J. Phys. B: At Mol. Phys. 1984, 17, L605-L610. 437. The Nature of Counterion in Butyllithium/Potassium t- Alkoxide Reaction Mixtures: An ESR Study. Dieter Wilhelm, Timothy Clark, Paul von Ragu¨¦ Schleyer, John L. Courtneidge and Alwyn G. Davies. J. Organomet. Chem. 1984, 273, C1-C3. 438. Diboramethylencyclopropan, theoretische Studien zur Struktur und zum Mechanismus der Topomerisierung. Peter H.M. Budzelaar, Paul von Ragu¨¦ Schleyer und Karsten Krogh-Jespersen. Angew. Chem. 1984, 96, 809- 810. An Extraordinary Structure and Topomerization Mechanism for "Diboramethylenecyclopropane". Angew. Chem., Intern. Ed. Engl. 1984, 23, 825-826. 439. Y-Ray Crystal Structure of [(o-6H4(CHPh)2)(Li(tmeda))2](tmeda= Me2NCH2CH2NMe2). Unsymmetrical Lithium Bridging and (E,E)- Conformation of the Phenyl Groups. Gernot Boche, Gero Decer, Heinz Etzrodt, Hans Dietrich, Waruno, Mahdi, Alexander J. Kos, and Paul von Ragu¨¦ Schleyer. J. Chem. Soc., Chem. Commun. 1984, 1493-1494. 440. The Influence of Carbanion Orbital Orientation and Charge Distribution on the Structures of Polylithium Compounds. Paul von Ragu¨¦ Schleyer, Alexander J. Kos, Dieter Wilhelm, Timothy Clark, Gernot Boche, Gero Decker, Heinz Etzrodt, Hans Dietrich and Waruno Mahdi. J. Chem. Soc., Chem. Commun. 1984, 1495-1496. 441. Structures and Stabilities of -Hetero-Substituted Organolithium and Organosodium Compounds. Energetic Unimportance of Second-Row d-Orbital Effects. Paul von Ragu¨¦ Schleyer, Timothy Clark, Alexander J. Kos, Günther W. Spitznagel, Cornelia Rohde, Dorit Arad, K.N. Houk, and Nelson G. Rondan. J. Am. Chem. Soc. 1984, 106, 6467-6475. 442. Hypermetalation Involving Sodium: ONa3, ONa4, HONa2, and HONa3. E.-U. Würthwein, Paul von Ragu¨¦ Schleyer, and J. A. Pople. J. Am. Chem. Soc. 1984, 106, 6973- 6978. 443. Dilithium Tribenzylidenemethane-2TMEDA: The First X- Ray Structure of a Y-Conjugated Trimethylenemethane Dianion Derivative. Dieter Wilhelm, Hans Dietrich, Timothy Clark, Waruno Mahdi, Alexander J. Kos, and Paul von Ragu¨¦ Schleyer. J. Am. Chem. Soc. 1984, 106, 7279-7280. 444. Geometries and Energies of Complexes between Formaldehyde and First- and Second-Row Cations. A Theoretical Study. Douglas J. Raber, Nancy K. Raber, Jayaraman Chandrasekhar, and Paul von Ragu¨¦ Schleyer. Inorg. Chem. 1984, 23, 4076-4080.
445. Nonplanar Structures of the Singlet and Triplet Cyclopropenyl Anions. Ab ab initio Study. Georg Winkelhofer, Rudolf Janoscheck, Filip Fratev, Günther W. Spitznagel, Jayaraman Chandrasekhar, and Paul von Ragu¨¦ Schleyer. J. Am. Chem. Soc. 1985, 107, 332-337. 446. The Doubly Bridged Structure of 1,4-Dilithio-cis-2- Butene. A Theoretical Demonstration of the Importance of Counter-ion Effects and of Lithium Multicenter Bonding. Alexander J. Kos, Peter Stein, and Paul von Ragu¨¦ Schleyer. J. Organomet. Chem. 1985, 280, C1-C5. 447. Double Lithium Bridging: The Structure of 1,4- Dilithio-1,4-Diphenyl-cis-2-Butene. Dieter Wilhelm, Timothy Clark, Paul von Ragu¨¦ Schleyer, Hans Dietrich, and W. Mahdi. J. Organomet. Chem. 1985, 280, C6-C10. 448. On the Nature of "Cycloheptatrienyl Trianion": The Decisive Importance of Counterion Stabilization in Polymetallated "Carbanion" Systems. Paul von Ragu¨¦ Schleyer, Dieter Wilhelm and Timothy Clark. J. Organomet. Chem. 1985, 281, C17-C20. 449. He22+, the Experimental Detection of a Remarkable Molecule. Michael Guilhaus, A. Gareth Brenton, John H. Beynon, Mila Rabrenovic, and Paul von Ragu¨¦ Schleyer. J. Chem. Soc., Chem. Commun. 1985, 210-211. 450. Effects of Boron Substituents in Borirenes, Boriranes, and Boranes. The Energies of B-X Bonds. Peter H.M. Budzelaar, Alexander J. Kos, Timothy Clark, and Paul von Ragu¨¦ Schleyer. Organometallics 1985, 3, 429-437. 451. Erzeugung von Cumulenen durch Lithium-Addition an 1,3- Diine. Rntgenstruktur von [3,6-Di(lithio-THF)- 2,2,7,7-tetramethyl-3,4,5-octatrien]2, einem 1,4- Dilithiobutatrien-Dimeren. Wolfgang Neugebauer, Gottfried A.P. Geiger, Alexander J. Kos, John J. Stezowski und Paul von Ragu¨¦ Schleyer. Chem.Ber. 1985, 118, 1504-1516. 452. Bridgehead Adamantyl, Diamantyl, and Related Cations and Dications. George A. Olah, G.K. Surya Prakash, Joseph C. Shih, V.V. Krishnamurthy, George A. Mateescu, Gao Liang, Gyorgy Sipos, Volker Buss, Tamara M. Gund and Paul von Ragu¨¦ Schleyer. J. Am. Chem. Soc. 1985, 107, 2764-2772. 453. Remarkable Structures of C2B2H4 Isomers. Peter H.M. Budzelaar, Karsten Krogh-Jespersen, Timothy Clark, and Paul von Ragu¨¦ Schleyer. J. Am. Chem. Soc. 1985, 107, 2773-2779. 454. Transition Structures for Additions of LiH and MeLi to Ethylene and Acetylene. K. N. Houk, Nelson G. Rondan, Paul von Ragu¨¦ Schleyer, E. Kaufmann and Timothy Clark. J. Am. Chem. Soc. 1985, 107, 2821-2823. 455. The Molecular and Electronic Structure of Dipiperidinosquaraine. Peter H.M. Budzelaar, Hans Dietrich, Jürgen Macheleid, Robert Weiss, and Paul von Ragu¨¦ Schleyer. Chem. Ber. 1985, 118, 2118-2126. 456. The Eight-membered Ring Structure of an -Lithio-2,6- dimethylpyridine-Tetramethylethylenediamine (TMEDA) Dimer. Paul von Ragu¨¦ Schleyer, Roland Hacker, Hans Dietrich, and Waruno Mahdi. J. Chem. Soc., Chem. Commun. 1985, 622-624. 457. Atom Equivalents for Relating Ab Initio Energies to Enthalpies of Formation. Mustafa R. Ibrahim, Paul von Ragu¨¦ Schleyer. J. Comp. Chem. 1985, 6, 157-167. 458. Relative Stabilities of 1,4-Disilabenzene and its Valence Isomers. Jayaraman Chandrasekhar, and Paul von Ragu¨¦ Schleyer. J. Organomet. Chem. 1985, 289, 51-55. 459. X-Ray Structural Analyses of Organolithium Compounds. William N. Setzer, and Paul von Ragu¨¦ Schleyer. Advances in Organometallic Chemistry 1985, 24, 353- 451. 460. The Structures of Lithium and Magnesium Derivatives of Acetic Acid "Dianions". Jose Kaneti, Paul von Ragu¨¦ Schleyer, and Alexander J. Kos. J. Chem. Soc., Chem. Commun. 1985, 1014-1016. 461. On the Structure of Allyl Anion. Paul von Ragu¨¦ Schleyer. J. Am. Chem. Soc. 1985, 107, 4793-4794. 462. The Structure of an Aromatic 10 Electron "Dianion": Dilithium Pentalenide. John J. Stezowski, Helga Hoier, Dieter Wilhelm, Timothy Clark and Paul von Ragu¨¦ Schleyer. J. Chem. Soc., Chem. Commun. 1985, 1263- 1264. 463. Ab initio Mechanisms for the Addition of CH3Li, HLi, and Their Dimers to Formaldehyde. Elmar Kaufmann, Paul von Ragu¨¦ Schleyer, Ken. N. Houk, and Yun-Dong Wu. J. Am. Chem. Soc. 1985, 107, 5560-5562. 464. Do Anomeric Effects Involving the Second-Row Substituents C1, SH, and PH2 Exist? Stabilization Energies and Structural Preferences. Paul von Ragu¨¦ Schleyer, Eluvathingal D. Jemmis, and Günther W. J. Am. Chem. Soc. 1985, 107, 6393-6349. 465. Theoretical Studies of LiF, LiOH, and LINH2 Tetramers. Anne-Marie Sapse, Krishnan Raghavachari, Paul von Ragu¨¦ Schleyer, and Elmar Kaufmann. J. Am. Chem. Soc. 1985, 107, 6483-6486. 466. A Theoretical Comparison of the Lowest-Lying Singlet and Triplet States of HCB and HBC. Brian T. Luke, John A. Pople, and Paul von Ragu¨¦ Schleyer. Chem. Phys. Lett. 1985, 122, 1,2. 467. n-Butylsodium: The Preparation, Properties and NMR Spectra of a Hydrocarbon- and Tetrahydrofuran-Soluble Reagent. Christian Schade, Walter Bauer, and Paul von Ragu¨¦ Schleyer. J. Organomet. Chm. 1985, 295, C25-C28. 468. Reinvestigatoin of the Bicyclo[2.2.2]octane-1,4-diyl Dication.1 Armin de Meijere, Otto Schallner, Peter Glitz, Walter Weber, Paul von Ragu¨¦ Schleyer, G.K. Surya Prakash and George A. Olah. J. Org. Chem. 1985, 50, 5255-5257.
469. Structures and Energies of C3H3Li Isomers. Polar Organometallic Models for "Cyclopropenyl Anions". Paul von Ragu¨¦ Schleyer, Elmar Kaufmann, Günther W. Spitznagel, Rudolf Janoschek, and Georg Winkelhofer. Organometallics 1986, 5, 79-85. 470. Structures and Energies of C4H22+. Koop Lammertsma, John A. Pople, and Paul von Ragu¨¦ Schleyer. J. Am. Chem. Soc. 1986, 108, 7-10. 471. A Theoretical Survey of Singly Bonded Silicon Compounds. Comparison of the Structures and Bond Energies of Silyl and Methyl Derivatives. Brian T. Luke, John A. Pople, Mary-Beth Krogh-Jespersen, Yitzhak Apeloig, Jayaraman Chandrasekhar, and Paul von Ragu¨¦ Schleyer. J. Am. Chem. Soc. 1986, 108, 260-269. 472. A Theoretical Survey of Unsaturated or Multiply Bonded and Divalent Silicon Compounds. Comparison with Carbon Analogues. Brian T. Luke, John A. Pople, Mary-Beth Krogh-Jespersen, Yitzhak Apeloig, Miriam Karni, Jayaraman Chandrasekhar, Paul von Ragu¨¦ Schleyer. J. Am. Chem. Soc. 1986, 108, 270.284. 473. 1,2-Dilithioethen-Isomere und die Mechanismen ihrer gegenseitigen Umwandlung, eine ab-initio-Untersuchung. Paul von Ragu¨¦ Schleyer, Elmar Kaufmann, Alexander J. Kos, Timothy Clark und John A. Pople. Angew. Chem., 1986, 98, (12), 164-165. 1,2-Dilithioethen Isomers and Their Mechanism of Interconversion: an Ab Initio Study Angew. Chem. Int. Ed. Engl., 1986, 25, 169-170. 474. Long Interbridgehead Bonds in Acceptor-Substituted Bicyclobutantes. Peter H.M. Budzelaar, Elfi Kraka, Dieter Cremer and Paul von Ragu¨¦ Schleyer. J. Am. Chem. Soc. 1986, 108, 561-567. 475. The First Successful Direct Metallation of Ethene. Lambert Brandsma, Hermann D. Verkruijsse, Christian Schade, and Paul von Ragu¨¦ Schleyer. J. Chem. Soc., Chem. Commun., 1986, 260. 476. Protonated Hydronium dication H4O2+. Hydrogen- Deuterium Exchange of D2H17O+ in HF: SbF5 and Theoretical Calculations. George A. Olah, G.K. Surya Prakash, Mario Barzaghi, Koop Lammertsma, Paul v. R. Schleyer and John A. Pople. J. Am. Chem. Soc., 1986, 108, 1032-1035. 477. Structures and Energies of the Lithium, Sodium, and Magnesium Derivatives of the Anions CH2CN- and CH2NC-. Solvation and Aggregation of the Lithium Species. José Kaneti, Paul von Ragu¨¦ Schleyer, Timothy Clark, Alexander J. Kos, Günther W. Spitznagel, Juan G. Andrade, and John B. Moffat. J. Am. Chem. Soc. 1986, 108, 1481-1492. 478. Heterosubstituenteneinflüsse auf die Stabilität von Phosphoniumyliden. Eine ab-initio-MO-Studie. Influences of Heterosubstistuents to the Stability of Phosphoniumylides. An Ab Initio Study. Hans Jürgen Bestmann, Alexander J. Kos, Konrad Witzgall und Paul von Ragu¨¦ Schleyer. Chem. Ber. 1986, 119, 1331-1349. 479. n-Butylpotassium: Preparation, Synthetic Use and NMR Properties in Hexane and Tetrahydrofuran Solution. Rafael Pi, Walter Bauer, Bernhard Brix, Christian Schade, and Paul von Ragu¨¦ Schleyer. J. Organomet. Chem. 1986, 306, C1-C4. 480. Pentacoordinate Carbon in Trigonal-Bipyramidal Symmetry. The Eight-Membered Ring X-ray Structure of Tetrakis(benzylsodium-N,N,N'- tetramethylethylenediamine). Christian Schade and Paul von Ragu¨¦ Schleyer. J. Am. Chem. Soc. 1986, 108, 2484- 2485. 481. Superaktive Alkalimetallhydrid- Metallierungsreagentien: LiH, NaH und KH. Peter A.A. Klusener, Lambert Brandsma. Hermann D. Verkruijsse, Paul von Ragu¨¦ Schleyer, Thomas Friedl und Rafael Pi. Angew. Chem. 1986, 98, 458. Superactive Alkali Metal Hydride Metalation Reagents: LiH, NaH, and KH. Angew. Chem. Int. Ed. Engl. 1986, 25, 465-466. 482. Nonempirical Study on Structure and Stability of Lithiated Cluster Compounds ALi2k of Elements of the Second Group (A = Be, Mg, Ca, Zn). N.M. Klimenko, D.G. Musaev, A.A. Gorbik, A.S. Zhubin, O.P. Charkin, E.-U. Würthwein and Paul von Ragu¨¦ Schleyer. Koord. Khim. (Russ.) 1986, (12)5, 601. (C.A. 105, 49417s.) 483. Structures and Energies of C4H22+. K. Lammertsma, J.A. Pople, and P.v.R. Schleyer. Journal of Molecular Structure (Theochem) 1986), 138, 183-184. 484. Ab Initio Calculations of Positive Ions. Paul von Ragu¨¦ Schleyer. Advances in Mass Spectroscopy, p. 287- 301, Part A. John Wiley & Sons Ltd., 1986. 485. Hyperstable Olefins: Further Calculational Explorations and Predicions. Alan McEwen and Paul von Ragu¨¦ Schleyer. J. Am. Chem. Soc. 1986, 108, 3951- 3960. 486. Dimerization of Borirene to 1,4-Diboracyclohexadiene. Structures and Stabilities of (CH)4(BH)2 Molecules. Peter H.M. Budzelaar, Sies M. van der Kirk, Karsten Krogh-Jespersen, and Paul von Ragu¨¦ Schleyer. J. Am. Chem. Soc. 1986, 108 3960-3967. 487. Azadiboridine and Diazaboridine: Aromatic and Antiaromatic Three-Membered-Ring Prototypes. Peter H.M. Budzelaar and Paul von Ragu¨¦ Schleyer. J. Am. Chem. Soc. 1986, 108, 3967-3970. 488. The Ethyl, 1- and 2-Propyl, and Other Simple Alkyl "Carbanions" Do Not Exist. Paul von Ragu¨¦ Schleyer, Günther W. Spitznagel, and Jayaraman Chandrasekhar. Tetrahedron Letters, 1986, 27, No. 37, 4411-4414. 489. Dilithium Pentalenide. Dieter Wilhelm, Timothy Clark, and Paul von Ragu¨¦ Schleyer. Organometallic Syntheses, Vol. 3, p. 10; R.B. King and J.J. Eisch, Eds., Elsevier, 1986. 490. The Remarkably Invariant Interaction Energies of Lithium First-Row Compounds with Water and with Ammonia. Elmar Kaufmann, Bruce Tidor, and Paul von Ragu¨¦ Schleyer. J. Comp. Chem. 1986, 7, 334-344. 491. The Reaction of Lithium with Hydrogen. A Model Ab Initio Study. Paul von Ragu¨¦ Schleyer and John A. Pople. Chem. Phys. Lett. 1986, 129, 475-480. 492. The Most Stable SiH3Li Structure is Inverted. Paul von Ragu¨¦ Schleyer and Timothy Clark. J. Chem. Soc., Chem. Comm. 1986, 17, 1373-1374. 493. On the Nature of the Si-N Double Bond and the Ease of Bending at Nitrogen. Paul von Ragu¨¦ Schleyer and Peter D. Stout. J. Chem. Sox, Chem. Comm. 1986, 17, 1373- 1374. 494. Structures, Stabilities, and Bonding in CBe2, C2Be, and C2Be2. Wolfram Koch, Gernot Frenking, Jürgen Gauss, Dieter Cremer, Andrzej Sawaryn, and Paul von Ragu¨¦ Schleyer. J. Am. Chem. Soc. 1986, 108, 5732- 5737. 495. The Remarkable Structure of Lithium Cyanide/Isocyanide. Paul von Ragu¨¦ Schleyer, Andrzej Sawaryn, Alan E. Reed, and Pavel Hobza. J. Comp. Chem. 1986, 7, 666-672. 496. Die Struktur eines Propadienylnatrium-Derivats. Konkurrenz zwischen Ladungsdelokalisation durch Resonanz und Ladungslokalisierung durch das Gegenion. Christian Schade, Paul von Ragu¨¦ Schleyer, Maren Geißler und Erwin Weiss. Angew. Chem. 1986, 98, 922- 924. The Structure of an Allenylsodium Derivative - Competition between Carbanion Resonance Delocalization and Gegenion Charge Localization. Angew. Chem., Int. Ed. Engl. 1986, 25, 902-903. 497. The Contrasting Strain Energies of Small Ring Carbon and Silicon Rings. The Relationship with Free Radical Energies. Paul von Ragu¨¦ Schleyer in H.G. Viehe, Z. Janousek, and R. Merenyi, Eds. "Substituent Effects in Radical Chemistry" (Nato ASI Series C-189) Reidel, Dordrecht, 1986, p. 69-81. 498. Stabilization of the Alleged "Bishomoaromatic" Bicyclo[3.2.1.]octa-2,6-dienyl Anion by Counterion Interactions and by Hyperconjugation. Paul von Ragu¨¦ Schleyer, Elmar Kaufmann, Alexander J. Kos, Herbert Mayr, and Jayaraman Chandrasekhar. J. Chem. Soc., Chem. Commun. 1986, 1583-1585. 499. 2,6-Bis (lithiumtrimethylsilylmethyl)pyridine.2TMEDA: A Monomeric Dilithio Compound Exhibiting Electrostatic Charge Communication. Roland Hacker, Paul von Ragu¨¦ Schleyer, Gabriele Reber, Gerhard Müller, and Lambert Brandsma. J. Organomet. Chem. 1986, 316, 4357-4368. 500. In-Plane Aromaticity and Trishomoaromaticity: A Computational Evaluation. Alan B. McEwen and Paul von Ragu¨¦ Schleyer. J. Org. Chem. 1986, 51, 4357-4368. 501. Singlet-Triplet Separation in Borylene. Comparison with the Methylidyne Cation, Methylene and the Amino Cation. John A. Pople and Paul von Ragu¨¦ Schleyer. Chem. Phys. Lett. 1986, 129, 279-281. 502. 2-Lithio-1-phenylpyrrol: Rntgen-Strukturanalyse und 6Li-1H-2D-heteronucleare Overhauser-NMR-Spektroskopie (2D-HOESY). Walter Bauer, Gerhard Müller, Rafel Pi, and Paul von Ragu¨¦ Schleyer. Angew. Chem. 1986, 98, 1130-1132. 2-Lithio-1-phenylpyrrol: X-Ray Structure Analysis and 6Li-1H-2D-Heteronuclear Overhauser NMR Spectroscopy (2D HOESY). Angew. Chem., Int. Ed. Engl. 1986, 25, 1103-1104.
503. Allyl-lithium: A Rapidly Equilibrating, Unsymmetrical Dimer in Tetrahydrofuran. William R. Winchester, Walter Bauer, and Paul von Ragu¨¦ Schleyer. J. Chem. Soc., Chem. Commun. 1987, 177-179. 504. The Mechanism of Directed Second Lithiations: Detection of Short Proton-Lithium Separations by 6Li- 1H HOESY. Walter Bauer, Timothy Clark, and Paul von Ragu¨¦ Schleyer. J. Am. Chem. Soc. 1987, 109, 970-977. 505. Tetrameres und Dodecameres Tert-Butylethinyllithium; ein neuartiges Aggregationsprinzip bei Organolithiumverbindungen. Maren Geissler, Jürgen Kopf, Bernd Schubert, Erwin Weiss, Wolfgang Neugebauer, und Paul von Ragu¨¦ Schleyer. Angew. Chem. 1987, 99, 569-570. Tetrameric and Dodecameric tert- Butylethynyllithium; A Novel Aggregation Principle in Organolithium Compounds. Angew. Chem. Int. Ed. Engl. 1987, 26, 587-589. 506. Binary Association Complexes of LiH, BeH2, and BH3. Relative Isomer Stabilities and Barrier Heights for their Interconversion: Energy Barriers in the Dimerization Reactions. D.J. DeFrees, Krishnan Raghavachari, H.B. Schlegel, J.A. Pople, and P.v.R. Schleyer. J. Phys. Chem. 1987, 91, 1857. 507. The Nature and Decomposition Pathways of SiH5-, PH5, and SH5+. The Simplest Viable Pentavalent Molecules. Alan E. Reed and Paul von Ragu¨¦ Schleyer. Chem. Phys. Lett. 1987, 133, 553-561. 508. Bindungsdehnungsisomerie in Bicyclo[1.1.0]tetrasilanen - Das unterschiedliche Verhalten von gespannten Silicium- und Kohlenstoffringen. Paul von Ragu¨¦ Schleyer, Alexander F. Sax, Josef Kalcher und Rudolf Janoschek. Angew. Chem. 1987, 99, 374-377. Bond Stretch Isomerism Bicyclo[1.1.0]tetrasilanes. Contrasts Between Strained Silicon and Carbon Ring Systems. Angew. Chem. Int. Ed. Engl. 1987, 26, 364-366. 509. The Structures and Energies of Main Group Metal Formyl Complexes. The Mechanism of the Reaction of LiH with CO. An ab initio Study. Elmar Kaufmann, Paul von Ragu¨¦ Schleyer, Scott Gronert, Andrew Streitwieser, Jr., and Mitchell Halpern. J. Am. Chem. Soc. 1987, 109, 2553- 2559. 510. Dodecahedrane aus [1.1.1]Pagodanen. Wolf-Dieter Fessner, Bulusu A.R.C. Murty, Jürgen Wrth, Dieter Hunkler, Hans Fritz, Horst Prinzbach, Wolfgang D. Roth, Paul von Ragu¨¦ Schleyer, Alan B. McEwen und Wilhelm F. Maier. Angew. Chem. 1987, 99, 484-486. Dodecahedranes from [1.1.1]Pagodane. Angew. Chem. Int. Ed. Engl. 1987, 26, 452-454. 511. Vier-Zentren-Zwei-Elektronen-Bindung mit tetraedrischer Topologie: Experimentelle Verwirklichung dreidimensionaler Homoaromatizität im 1,3-Dehydro-5,7-adamantandiyl-Dikation. Matthias Bremer, Paul von Ragu¨¦ Schleyer, Karl Schtz, Michael Kausch und Michael Schindler. Angew. Chem. 1987, 99, 795-799. Four-Center Two-Electron Bonding in a Tetrahedral Topology. Experimental Realization of Three-Dimensional Homoaromaticity in the 1,3-Dehydro- 5,7-adamantanediyl Dication. Angew. Chem. Int. Ed. Engl. 1987, 26, 761-763. 512. Model MNDO Calculations for Rotamers of - Acylnitroxides and of N-Nitrosonitroxides. Alexandru T. Balaban, Ernst-Ulrich Würthwein, and Paul von Ragu¨¦ Schleyer. 513. Die Rntgenstruktur von N-Lithiocarbazol-Dimer: Experimentelle Bestätigung der theoretischen Analyse von Strukturen des N-Lithiopyrrol-Typs. Roland Hacker, Elmar Kaufmann, Paul von Ragu¨¦ Schleyer, Waruno Mahdi, Hans Dietrich. Chem. Ber. 1987, 120, 1533-1538. 514. On the Existence of Methylborylene. An ab initio Investigation of the CBH3 Potential Energy Surface. Paul von Ragu¨¦ Schleyer, Brian T. Luke, and John A. Pople. Organometallics 1987, 6, 1997-2000. 515. Convenient Procedures for the -Metallation of Vinyl Ethers and Thioethers. H.D. Verkruijsse, L. Brandsma, and P.v.R. Schleyer. J. Organomet. Chem. 1987, 332, 99-103. 516. Vinylphosphane - How Effective is -Donation from Phosphorus Lone Pairs? Christian Schade and Paul von Ragu¨¦ Schleyer. J. Chem. Soc., Chem. Commun. 1987, 1399-1401. 517. Representative Metalation and Reduction Reactions of the Superactive Metal Hydrides LiH, NaH, and KH. Rafael Pi, Thomas Friedl, Paul von Ragu¨¦ Schleyer, Peter Klusener, and Lambert Brandsma. J. Org. Chem. 1987, 52, 4299-4303. 518. Dioxetenes and Diazetines: Nonaromatic 6 -Systems in Four-Membered Rings. Peter H.M. Budzelaar, Dieter Cremer, Markus Wallasch, Ernst-Ulrich Würthwein, and Paul von Ragu¨¦ Schleyer. J. Am. Chem. Soc. 1987, 109, 6290-6299. 519. Monomeric Organolithium Compounds in Tetrahydrofuran: tert-Butyllithium, sec-Butyllithium, "Supermesityllithium", Mesityllithium, and Phenyllithium. Carbon-Lithium Coupling Constants and the Nature of Carbon-Lithium Bonding. Walter Bauer, William R. Winchester, and Paul von Ragu¨¦ Schleyer. Organometallics 1987, 6, 2371-2379. 520. Structures and Energies of Isomeric Cyclopentenyl Cations. Resolution of the Question of Anchimeric Assistance in Cyclopenten-4-yl Solvolysis. Paul von Ragu¨¦ Schleyer, T. William Bentley, Wolfram Koch, Alexander J. Kos, and Helmut Schwarz. J. Am. Chem. Soc. 1987, 109, 6953-6957. 521. A Systematic Survey of the Effects of Substituents on the Structures and Energies of the Principal Organic Reaction Intermediates. Paul von Ragu¨¦ Schleyer. Pure Appl. Chem. 1987, 59, 1647-1660. 522. An Evaluation of the Performance of Diffuse Function- Augmented Basis Sets for Second Row Elements, Na-Cl. Günther W. Spitznagel, Timothy Clark, Paul von Ragu¨¦ Schleyer, and Warren J. Hehre. J. Comp. Chem. 1987, 8, 1109-1116. 523. Calculation of Enthalpies of Hydrogenation of Hydrocarbons. Mustafa R. Ibrahim, Zacharia A. Fataftah, Paul von Ragu¨¦ Schleyer, and Peter D. Stout. J. Comp. Chem. 1987, 8, 1131-1138. 524. The Anomeric Effect with Central Atoms Other Than Carbon. 1. Strong Interactions Between Nonbonded Substituents in Polyfluorinated First- and Second-Row Hydrides. Alan E. Reed and Paul von Ragu¨¦ Schleyer. J. Am. Chem. Soc. 1987, 109, 7362-7373. 525. Pentasila[1.1.1]propellan. Voraussagen über Struktur, Bindung und Spannungsenergie. Paul von Ragu¨¦ Schleyer und Rudolf Janoschek. Angew. Chem. 1987, 99, 1312- 1313. Pentasila[1.1.1]propellane. Predictions Concerning Structure, Bonding, and Strain Energy. Angew. Chem. Int. Ed. Engl. 1987, 26, 1267-1268.
526. Structures and Energies of Isomeric C5H42+ and C6H42+ Dications. Koop Lammertsma and Paul von Ragu¨¦ Schleyer. J. Phys. Chem. 1988, 92, 881-886. 527. The Ab Initio Energy Difference Favoring the Nonclassical over the Classical Structure of the Bicyclo[2.1.1]hexyl Cation. Comparison of Calculated (IGLO) and Experimental 13C Chemical Shifts. Paul von Ragu¨¦ Schleyer, Keith Laidig, Kenneth B. Wiberg, Martin Saunders, and Michael Schindler. J. Am. Chem. Soc. 1988, 110, 300-301. 528. Mass Spectrometry of Gas-Phase Lithium Alkoxides. Jason D. Kahn, Armin Haag, and Paul von Ragu¨¦ Schleyer. J. Phys. Chem. 1988, 92, 212-220. 529. Anomeric Effects Involving Silicon Centres: Silanols. Alan. E. Reed, Christian Schade, Paul von Ragu¨¦ Schleyer, P. Vishnu Kamath, and Jayaraman Chandrasekhar. J. Chem. Soc., Chem. Commun. 1988, 67- 69. 530. Structure of 2-Lithiophenyl tert-Butyl Thioether in Solution and in the Solid State. Detection of Agostic Li-H Interactions by NMR Spectroscopy. W. Bauer, P.A.A. Klusener, S. Harder, J.A. Kanters, A.J.M. Duisenberg, L. Brandsma, and P.v.R. Schleyer. Organometallics 1988, 7, 552-555. 531. Gasphasenoxidation ("Charge-Stripping") von ionisierten Pagodanen und verwandten Käfigkohlenwasserstoffen. - Eine theoretisch- experimentelle Studie zu Tetramethylen-Dikationen. Thomas Drewello, Wolf-Dieter Fessner, Alexander J. Kos, Carlito B. Lebrilla, Horst Prinzbach, Paul von Ragu¨¦ Schleyer und Helmut Schwarz. Chem. Ber. 1988, 121, 187-189. 532. Relative Ineffectiveness of Longicyclic Three-Ribbon Interactions in Dications. Rearrangement Products of Benzobarrelene Dications: A MNDO and Experimental Study. Karl Schtz, Timothy Clark, and Paul von Ragu¨¦ Schleyer. J. Am. Chem. Soc. 1988, 110, 1394-1405. 533. Competition among Multihapto Bonding, Solvation, and Aggregation. The n1/n2 Infinite-Chain X-Ray Structure of Indenylsodium.N,N,N',N'-Tetramethyl-1,2- Diaminoethane. Christian Schade, Paul von Ragu¨¦ Schleyer, Peter Gregory, Hans Dietrich, and Waruno Mahdi. J. Organomet. Chem. 1988, 341, 19-38. 534. Remote Inductive Effects in the Solvolysis of Secondary and Tertiary 2-Norbornyl Derivatives. Evidence for Nonclassical Stabilization of the 2- Norbornyl Cation. Dieter Lenoir, Yitzhak Apeloig, Dorit Arad, Paul von Ragu¨¦ Schleyer. J. Org. Chem. 1988, 53, 661-675. 535. Structures and Energies of Isomeric C5H42+ and C6H42+ Dications. Koop Lammertsma and Paul von Ragu¨¦ Schleyer. J. Phys. Chem. 1988, 92, 881-882. 536. An Experimental and Theoretical Study of the Dimetallation of VinylAcetylene. Lambert Brandsma, Hendrik Hommes, Hermann D. Verkruijsse, Alexander J. Kos, Wolfgang Neugebauer, Wolfgang Baumgärtner, Paul von Ragu¨¦ Schleyer. Recl. Trav. Chim. Pays-Bas 1988, 107, 286-295. 537. A Comparison of the Energies of Double Bonds of Second-Row Elements with Carbon and Silicon. Paul von Ragu¨¦ Schleyer, Daniel Kost. J. Am. Chem. Soc. 1988, 110, 2105-2109 538. Accurate Theoretical Estimates of the Electron Affinities of AHn Molecules by Isogyric Comparisons. Proton Affinities of AHn Anions. John A. Pople, Paul von Ragu¨¦ Schleyer, José Kaneti and Günther W. Spitznagel. Chem. Phys. Lett. 1988, 145, 359-364 539. The Nontetrahedral Structure and Fluxional Character of SiLi4. A Violation of Both van't Hoff and Electrostatic Bonding Principles. Paul von Ragu¨¦ Schleyer and Alan E. Reed. J.Am.Chem.Soc. 1988, 110, 4453-4454 540. Structures of "Half-Opened" Cyclopropyl Cations. Theoretical Confirmation of Experimental Postulates. Paul von Ragu¨¦ Schleyer and Matthias Bremer. J.Org.Chem. 1988, 53, 2362-2364 541. Methyllithium and Its Oligomers. Structural and Energetic Relationships. Elmar Kaufmann, Krishnan Raghavachari, Alan E. Reed, and Paul von Ragu¨¦ Schleyer. Organometallics 1988, 7, 1597-1607 542. The Crystal Structure of the Reaction Product of n- Butyllithium with 7,8-Benzoquinoline. William N. Setzer, Paul von Ragu¨¦ Schleyer, Waruno Mahdi and Hans Dietrich. Tetrahedron 1988, Vol. 44, No. 11, 3339-3342 543. Inductive Effects in Neighboring-Group Participation. Destabilization of Carbocations by CC Double Bonds in Solvolyses of 2,2,5,5-Tetramethylcyclopent-3-en-1-yl Tosylates. T. William Bentley, Bernhard Irrgang, Herbert Mayr, and Paul von Ragu¨¦ Schleyer. J.Org.Chem. 1988, 53, 3492-3498 544. Sodium, Potassium, Rubidium, and Cesium: X-Ray Structural Analysis of Their Organic Compounds. Christian Schade and Paul von Ragu¨¦ Schleyer. Adv. in Organomet. Chem. 1988, 27, 169-270. 545. On The Nature Of The Bonding In X-Be-O Molecules (X = He, Ne, Ar) Pavel Hobza and Paul von Ragu¨¦ Schleyer. Coll. Czech. Chem. Commun. 1988, 53, 2230-2238. 546. Application Of Semi-Empirical and Ab Initio Quantum Mechanical Calculations. Paul von Ragu¨¦ Schleyer. J. of Computer-Aided Molecular Design 1988, 2, 223-224. 547. Two-Dimensional 6Li, 1H Heteronuclear Overhauser Spectroscopy (HOESY) in Magnitude and Pure Absorption Representations. Application to a Dimer-Monomer Equilibrium of a 1,4-Dilithio-Compound. Walter Bauer, Paul von Ragu¨¦ Schleyer. Magnetic Resonance in Chemistry 1988, 26, 827-833. 548. The Reaction of n-Butyllithium with Diphenylacetylene: Structure Elucidation of the Mono-and Dilithio Product By One-and Two Dimensional NMR Spectroscopy, X-Ray Analysis, and MNDO Calculations. Agostic Activation by Lithium. Walter Bauer, Martin Feigel, Gerhard Müller, and Paul von Ragu¨¦ Schleyer. J. Am. Chem. Soc. 1988, 110, 6033-6046. 549. Planar Tetracoordinate Carbon Atoms Hidden in the Tetrameric Aggregate of (2,6-Dimethoxyphenyl)lithium. Sjoerd Harder, Jaap Boersma, Lambert Brandsma, Albert van Heteren, Jan A. Kanters, Walter Bauer, and Paul von Ragu¨¦ Schleyer. J. Am. Chem. Soc. 1988, 110, 7802- 7806. 550. Structures, Energies and Modes of Interconversion of C4H7+ Ions. Martin Saunders, Keith E. Laidig, Kenneth B. Wiberg and Paul von Ragu¨¦ Schleyer. J. Am. Chem. Soc. 1988, 110, 7652-7659. 551. Dilithiodiborane (6) (Li2B2H4): An Experimentally Viable Species with a B=B Double Bond. Planar No-Bond- Double-Bond Isomers with Pentacoordinate Boron? Elmar Kaufmann and Paul von Ragu¨¦ Schleyer. Inorg. Chem. 27 (1988) 3987-3992. 552. The Anomeric Effect with Central Atoms Other than Carbon. 2. Strong Interactions between Nonbonded Substituents in Mono- and Polyfluorinated First-and Second Row Amines. FnAHmNH2. Alan E. Reed and Paul von Ragu¨¦ Schleyer. Inorg. Chem. 27 (1988) 3969-3987.
554. Remarkable Structures of Dialane(4), Al2H4. Koop Lammertsma, Osman F. Güner, R. Michelle Drewes, Alan E. Reed, and Paul von Ragu¨¦ Schleyer. Inorg. Chem. 1989, 28, 313-317. 555. Nonplanarity in Hückel 2 Aromatic Systems. An NMR- IGLO-ab Initio Proof of the Puckered Structure of Cyclobutadiene Dications. Matthias Bremer and Paul von Ragu¨¦ Schleyer. J. Am. Chem. Soc. 1989, 111, 1148- 1150. 556. Definitive Characterization of the C3H7+ Potential Energy Surface. Wolfram Koch, Bowen Liu, and Paul von Ragu¨¦ Schleyer. J. Am. Chem. Soc. 1989, 111, 3479- 3480. 557. Carboxylation of Lithium Compounds: Ab Initio Mechanisms. Elmar Kaufmann, Stefan Sieber, and Paul von Ragu¨¦ Schleyer J. Am. Chem. Soc. 1989, 111, 4005- 4008. 558. Stabile Methylenborane hoher Lewis-Acidität. Ralf Hunold, Monika Pilz, Jürgen Allwohn, Matthias Stadler, Werner Massa, Paul von Ragu¨¦ Schleyer und Armin Berndt. Angew. Chem. 1989, 101, 759-761. Stable Methyleneboranes of High Lewis Acidity. Angew. Chem. Int. Ed. Engl. 1989, 28, 781-783. 559. Degenerate Lithium-Hydrogen Exchange Reactions: Ab Initio Models for Metallation Mechanisms Involving H2, CH4, NH3, H2O, and HF. Elmar Kaufmann and Paul von Ragu¨¦ Schleyer. J. Comp. Chem. 1989, 10, 437-448. 560. Hyperconjugative Distortions and the Cyclopentyl Cation Structure. Paul von Ragu¨¦ Schleyer, José W. de M. Carneiro, Wolfram Koch, Krishnan Raghavachari. J. Am. Chem. Soc., 1989, 111, 5475-5477. 561. Structure of 2-Lithiobenzofuran-tmeda and 2- Lithiobenzothiophene-tmeda in the Solid State and in Solution. Sjoerd Harder Jaap Boersma and Lambert Brandsma, Jan A. Kanters, Walter Bauer, R. Pi, Paul von Ragu¨¦ Schleyer, H. Schllhorn, and U. Thewalt. Organometallics, 1989, 8, 1688-1696. 562. Crystal Structure of [2,6- Bis(dimethylamino)phenyl]lithium: The First Trimeric Organolithium Compound. Sjoed Harder, Jaap Boersma, Lambert Brandsma, Jan A. Kanters, Walter Bauer and Paul von Ragu¨¦ Schleyer. Organometallics, 1989, 8, 1696-1700. 563. Unusual Structures of Dilithiosilanes and Disodiosilanes. Ionicity of the Silicon-Alkali-Metal Bond. Andrzej Rajca, Peng Wang, Andrew Streitwieser, and Paul von Ragu¨¦ Schleyer. Inorg. Chem., 1989, 28, 3064-3070. 564. Methylated Biphenylene Dianions: NMR Spectroscopic and Theoretical Investigation. Joseph W. Bausch, Peter S. Gregory, George A. Olah, G.K. Surya Prakash, Paul v.R. Schleyer, and Gerald A. Segal. J.Am.Chem.Soc., 1989, 111, 3633-3640. 565. Sehr kurze C-C-Einfachbindungen und ihre Ursache; die Länge der zentralen Bindung in Bitetrahedryl. Paul v.R. Schleyer and Matthias Bremer. Angew.Chem. 1989, 101, 1264-1266. Very Short C-C Single Bonds and Their Origin. The Central Bond Length in Bitetrahedryl. Angew.Chem.Int.Ed.Engl., 1989, 28, 1226-1228. 566. N-Caesiocarbazol - pmdta und N-Kaliocarbazol - (pmtda = N,N,N`,N",N"-Pentamethyldiethylentriamin); Kationengrße und Multihapto-Koordination. Karina Gregory, Matthias Bremer, Paul v.R. Schleyer, Peter A.A. Klusener, and Lambert Brandsma. Angew.Chem., 1989, 101, 1261-1264. N-Cesiocarbazole - pmdta and N- Potassiocarbazole - (PMDTA = N,N,N`,N",N"- Pentamethyldiethylenetriamine). Cation Size and Multihapto Bonding. Angew.Chem.Int.Ed.Engl., 1989, 28, 1224-1226. 567. Das 7-Norbonadienyl-Kation: die NMR/IGLO-Bestätigung seiner mit ab-initio-Methoden berechneten Struktur. Matthias Bremer, Karl Schtz, Paul v.R. Schleyer, Ulrich Fleischer, Michael Schindler, Werner Kutzelnigg, Wolfram Koch, and Peter Pulay. Angew.Chem. 1989, 101, 1063-1065. The 7-Norbornadienyl Cation: An NMR/IGLO Validation of its ab initio Structure. Angew.Chem.Int.Ed.Engl., 1989, 28, 1042-1944. 568. Kleine organische Dikationen - Symbiose von Gasphasenexperimenten und MO-Berechnungen. Koop Lammertsma, Paul v.R. Schleyer, and Helmut Schwarz. Angew.Chem., 1989, 101, 1313-1335. Organic Dications: Gas Phase Experiments and Theory in Concert. Angew.Chem.Int.Ed.Engl., 1989, 28, 1321-1341. 569. High Degrees of Functionalization of the Adamantane Skeleton: X-Ray Structure of Tetrabromodecachloroadamantane. Matthias Bremer, Alan McEwen, Peter S. Gregory, and Paul v.R. Schleyer. New Journal of Chemistry, 1989, 13, 767-769. 570. Halogenated Adamantanes: Intermolecular Interactions in the Solid Sate. X-Ray Structures of Difluorodiiodo- and Trifluoroiodoadamantene. Matthias Bremer, Peter S. Gregory and Paul v. R. Schleyer. J.Org.Chem., 1989, 54, 3796-3799. 571. Thermodynamics of Solvation of Lithium Compounds. A Combined MNDO and ab Initio Study. Elmar Kaufmann, Jürgen Gose, and Paul v.R. Schleyer. Organometallics, 1989, 8, 2577-2584. 572. Mechanistic Evidence for Ortho Directed Lithiations from One and Two Dimensional NMR Spectroscopy and MNDO Calculations. Walter Bauer, Paul v.R. Schleyer. J.Am.Chem.Soc., 1989, 111, 7191-7198. 573. The Prop-2-yl Cation is Chiral. Paul v.R. Schleyer, Wolfram Koch, Bowen Liu, Ulrich Fleischer. J.Chem.Soc.,Chem. Commun., 1989, 16, 1098. 574. Structures and Energies of Isomeric C3H62+ Dications. Koop Lammertsma, Osman F. Güner, Angela F. Thibodeaux, Paul v.R. Schleyer. J.Am.Chem.Soc., 1989, 111, 8995- 9002. |
