Articles 1970 - 1979
The following articles were published between 1970 and 1979
M2L9 Complexes, R. H. Summerville and R. Hoffmann, J. Amer. Chem. Soc., 101, 3821-3831 (1979).
Some Hydrido Bridged Transition Metal Dimers and Their Unsupported Analogues. Speculations on Pentuple Bonding and Pentuple Bridging, A. Dedieu, T. A. Albright and R. Hoffmann, J. Amer. Chem. Soc., 101, 3141-3151 (1979).
Delocalization in Metallocycles, D. L. Thorn and R. Hoffmann, Nouv. J. Chim., 3, 39 (1979).
Dependence of Equilibrium Geometry and Rearrangement Modes on Electron Count in One Class of Trinuclear Complexes of Acetylene, B. E. R. Schilling and R. Hoffmann, Acta Chem. Scand., B33, 231-232 (1979).
Conjugated One-and-Two Dimensional Polymers, M.-H. Whangbo, R. Hoffmann and R. B. Woodward, Proc. Roy. Soc., A366, 23 (1979).
Polyene-ML2 and -ML4 Complexes, Conformational Preferences and Barriers to Rotation, T. A. Albright, R. Hoffmann, Y.-C Tse and T. D'Ottavio, J. Amer. Chem. Soc., 101, 3812-3821 (1979).
Ethylene Complexes: Bonding, Rotational Barriers, and Conformational Preferences, T. A. Albright, R. Hoffmann, J. C. Thibeault and D. L. Thorn, J. Amer. Chem. Soc., 101, 3801 (1979).
M3L9(Ligand) Complexes, B. E. R. Schilling and R. Hoffmann, J. Amer. Chem. Soc., 101, 3456-3467 (1979).
Ring Puckering and Metal-Metal Separations in One Class of Dibridged Binuclear Complexes, A. R. Pinhas and R. Hoffmann, Inorg. Chem., 18, 654-658 (1979).
The Effect of Ligand Asymmetry on the Structure and Reactivity of CpMLL'-(allyl) and -(ethylene) Complexes, B. E. R. Schilling, R. Hoffmann and J. W. Faller, J. Amer. Chem. Soc., 101, 592-598 (1979).
CpM(CO)2(Ligand) Complexes, B. E. R. Schilling, R. Hoffmann and D. L. Lichtenberger, J. Amer. Chem. Soc., 101, 585 (1979).
Bis [µ-methyl-1,3-dimethyl-h3-allyl-nickel] Struktur und Bindungsverhältnisse eines Alkyl-verbrückten Ni-Ni-Systems, C. Krüger, J. C. Sekutowski, H. Berke and R. Hoffmann, Z. Naturf., 33B, 1110 (1978).
Triple-Bonded Ethane-Like M2L6 Transition Metal Complexes Should be Eclipsed, T. A. Albright and R. Hoffmann, J. Amer. Chem. Soc., 100, 7736-7738 (1978).
Organometallic Migration Reactions, H. Berke and R. Hoffmann, J. Amer. Chem. Soc., 100, 7224 (1978). The same material is reported in: Organometallic 1, 2 Shift Type Migration Reactions, in Quantum Theory of Chemical Reactions, Vol. II, ed. R. Daudel, A. Pullman, A. Salem and A. Veillard, D. Reidel, 1980.
The Possibility of a Non-Centered Structure for (CO)9Co3CCR2+, B. E. R. Schilling and R. Hoffmann, J. Amer. Chem. Soc., 100, 6274 (1978).
Eight Coordination, J. K. Burdett, R. Hoffmann and R. C. Fay, Inorg. Chem., 17, 2553 (1978).
Cu(I)-Cu(I) Interactions. Bonding Relationships in d10-d10 Systems, P. K. Mehrotra and R. Hoffmann, Inorg. Chem., 17, 2187-2189 (1978).
The Band Structure of the Tetracyanoplatinate Chain, M.-H. Whangbo and P. Hoffmann, J. Amer. Chem. Soc., 100, 6093 (1978).
Electronic Structure of M4(CO)12Hn and M4Cp4Hn Complexes, R. Hoffmann, B. E. R. Schilling, R. Bau, H. D. Kaesz and D. M. P. Mingos, J. Amer. Chem. Soc., 100, 6088 (1978).
Counter-Intuitive Orbital Mixing, M.-H Whangbo and R. Hoffmann, J. Chem. Phys., 68, 5498 (1978).
Counter-Intuitive Orbital Mixing in Semi-Empirical and Ab Initio Molecular Orbital Calculations, J. H. Ammeter, H.-B. Bürgi, J. C. Thibeault and R. Hoffmann, J. Amer. Chem. Soc., 100, 3686-3692 (1978).
Tempered Orbital Energies in SCF MO Calculations and Their Relation to the Ordinate in Mulliken-Walsh Correlation Diagrams and Extended Hückel Orbital Energies, P. K. Mehrotra and R. Hoffmann, Theor. Chim. Acta, 48, 301 (1978).
Cycloheptatriene and Fulvene Cr(CO)3 Complexes, T. A. Albright, R. Hoffmann and P. Hofmann, Chem. Ber., 111, 1591 (1978).
Conformational Preferences of Substituted Cyclopentadienyl Complexes, T. A. Albright and R. Hoffmann, Chem. Ber., 111, 1578 (1978).
The Olefin Insertion Reaction, D. L. Thorn and R. Hoffmann, J. Amer. Chem. Soc., 100, 2079-2090 (1978).
Pt(0)-Pt(0) Dimers. Bonding Relationships in a d10-d10 System, A. Dedieu and R. Hoffmann, J. Amer. Chem. Soc., 100, 2074-2079 (1978).
Theoretical Aspects of the Coordination of Molecules to Transition Metal Centers, R. Hoffmann, T. A. Albright and D. L. Thorn, Pure Appl. Chem., 50, 1 (1978).
Transits Across a Cyclopentadienyl. Organic and Organometallic Haptotropic Shifts, Nguyen Trong Anh, M. Elian and R. Hoffmann, J. Amer. Chem. Soc., 100, 110-116 (1978).
M2(CO)6(Ligand) Complexes, D. L. Thorn and R. Hoffmann, Inorg. Chem., 17, 126 (1978).
Diazenido, Dinitrogen and Related Complexes, D. L. DuBois and R. Hoffmann, Nov. J. Chim., 1, 479 (1977).
The Stability of Organo-Gold Compounds. Hydrolytic, Thermal and Oxidative Cleavages of Dimethylaurate (I) and Tetramethylaurate (III), S. Komiya, T. A. Albright, R. Hoffmann and J. K. Kochi, J. Amer. Chem. Soc., 99, 8440 (1977).
Conformational Preferences and Rotational Barriers in Polyene-ML3 Transition Metal Complexes, T. A. Albright, P. Hofmann and R. Hoffmann, J. Amer. Chem. Soc., 99, 7546 (1977).
The Structure of a Molecular Nitrogen Complex (in Russian), R. Hoffmann, D. L. Thorn and A. E. Shilov, Koordinats. Khim., 3, 1260 (1977).
The Structure of and Bonding in Bis-(1, 3-Dicyclohexylphosphino-Propane) Di-Nickelhydride - A Three-Center Hydrogen-Bridged Ni-Ni System, B. L. Barnett, C. Krüger, Y.-H. Tsay, R. H. Summerville and R. Hoffmann, Chem. Ber., 110, 3900 (1977).
Nitroenamines, S. Rajappa, R. Sreenivasan, B. G. Advani, R. H. Summerville and R. Hoffmann, Ind. J. Chem., 15B, 297 (1977).
Seven Coordination. A Molecular Orbital Exploration of Structure, Stereochemistry, and Reaction Dynamics, R. Hoffmann, B. F. Beier, E. L. Muetterties and A. R. Rossi, Inorg. Chem., 16, 511 (1977).
A Qualitative Discussion of Alternative Coordination Modes of Diatomic Ligands in Transition Metal Complexes, R. Hoffmann, M. M.-L. Chen and D. L. Thorn, Inorg. Chem., 16, 503 (1977).
Reductive Elimination and Isomerization of Organo-gold Complexes. Theoretical Studies of Trialkylgold Species As Reactive Intermediates, S. Komiya, T. A. Albright, R. Hoffmann and J. Kochi, J. Amer. Chem. Soc., 98, 7255 (1976).
Tetrahedral and Other M2L6 Transition Metal Dimers, R. H. Summerville and R. Hoffmann, J. Amer. Chem. Soc., 98, 7240 (1976).
A Comparative Bonding Study of Conical Fragments, M. Elian, M. M.-L. Chen, D. M. P. Mingos and R. Hoffmann, Inorg. Chem., 15, 1148 (1976).
Triple-Decker Sandwiches, J. W. Lauher, M. Elian, R. H. Summerville and R. Hoffmann, J. Amer. Chem. Soc., 98, 3219 (1976).
Bicapped Tetrahedral, Trigonal Prismatic and Octahedral Alternatives in Main and Transition Group Six-Coordination, R. Hoffmann, J. M. Howell and A. R. Rossi, J. Amer. Chem. Soc., 98, 2484 (1976).
Structure and Chemistry of Bis(Cyclopentadienyl)MLn Complexes, J. W. Lauher and R. Hoffmann, J. Amer. Chem. Soc., 98, 1729 (1976).
Sulfuranes: Theoretical Aspects of Bonding, Substituent Site Preferences, and Geometrical Distortions, M. M.-L. Chen and R. Hoffmann, J. Amer. Chem. Soc., 98, 1647 (1976).
The Electronic Origin of Geometrical Deformations in Cyclohexadienyl and Cyclobutenyl Transition Metal Complexes, R. Hoffmann and P. Hofmann, J. Amer. Chem. Soc., 98, 598 (1976).
Orbital Interactions in Metal Dimer Complexes, P. J. Hay, J. C. Thibeault and R. Hoffmann, J. Amer. Chem. Soc., 97, 4884 (1975).
Augmented Silicon-Carbon Bond Strengths via d-σ Hyperconjugation, P. D. Mollere and R. Hoffmann, J. Amer. Chem. Soc., 97, 3680 (1975).
The Bonding Capabilities of Transition Metal Carbonyl Fragments, M. Elian and R. Hoffmann, Inorg. Chem., 14, 1058 (1975).
Transition Metal Pentacoordination, A. R. Rossi and R. Hoffmann, Inorg. Chem.,14, 365 (1975).
Molecular Orbital Studies of Dissociative Chemisorption of First Period Diatomic Molecules and Ethylene on (100) W and Ni Surfaces, A. B. Anderson and R. Hoffmann, J. Chem. Phys., 61, 4545 (1974).
Pentacoordinate Nitrosyls, R. Hoffmann, M. M.-L. Chen, M. Elian, A. R. Rossi and D. M. P. Mingos, Inorg. Chem., 13, 2666 (1974).
The Geometry of Transition-Metal Complexes with Ethylene or Allyl Groups As the only Ligands, N. Rösch and R. Hoffmann, Inorg. Chem., 13, 2656 (1974).
Theory in Chemistry, R. Hoffmann, Chem. & Eng. News, 72(30), 32 (July 29, 1974).
The Perturbation of Molecules by Static Fields, Orbital Overlap and Charge Transfer, H. Fujimoto and R. Hoffmann, J. Phys. Chem., 78, 1874 (1974).
A Molecular Orbital Study of the Addition of Singlet Methylene to Butadiene, H. Fujimoto and R. Hoffmann, J. Phys. Chem., 78, 1167 (1974).
Description of Diatomic Molecules Using One Electron Configuration Energies with Two-Body Interactions, A. B. Anderson and R. Hoffmann, J. Chem. Phys., 60, 4271 (1974).
Towards a Detailed Orbital Theory of Substituent Effects: Charge Transfer, Polarization and the Methyl Group, L. Libit and R. Hoffmann, J. Amer. Chem. Soc., 96, 1370 (1974).
Why a Cyclopropyl Group is Good at Stabilizing a Cation but Poor at Transmitting Substituent Effects, C. F. Wilcox, L. M. Loew and R. Hoffmann, J. Amer. Chem. Soc., 95, 8192 (1973).
Theoretical Aspects of the Bonding in Some Three-Membered Rings Containing Sulfur, R. Hoffmann, H. Fujimoto, J. R. Swenson and C.-C. Wan, J. Amer. Chem. Soc., 95, 7644 (1973).
Orbital Noninteraction in Bridged Cyclohexanes, R. Hoffmann, P. D. Mollere and E. Heilbronner, J. Amer. Chem. Soc., 95, 4860 (1973).
Superjacent Orbital Control. An Interpretation of the Anomeric Effect, S. David, O. Eisenstein, W. J. Hehre, L. Salem, R. Hoffmann, P. D. Mollere and E. Heilbronner, J. Amer. Chem. Soc., 95, 3806 (1973).
Orbital Interaction in Amino-ketones, C. C. Levin, R. Hoffmann, W. J. Hehre and J. Hudec, J. Chem. Soc., Perkin Transactions, 2, 210 (1973).
The Energy of Substituted Ethanes. Asymmetry Orbitals, L. Salem, R. Hoffmann and P. Otto, Proc. Nat. Acad. Sci., 70, 531 (1973).
Das Konzept von der Erhaltung der Orbitalsymmetrie (in German), R. Hoffmann and R. B. Woodward, Chemie in unserer Zeit, 6, 167 (1972); also appears under the title of Den reaktionskontrollerande orbitalsymmetrin (in Swedish); Kemisk Tidskrift, 85(3), 28 (1973).
On Steric Attraction, R. Hoffmann, C. C. Levin and R. A. Moss, J. Amer. Chem. Soc., 95, 629 (1973).
The Effect of Protonation on Aziridine and Oxirane Bond Strength, W.-D. Stohrer and R. Hoffmann, Angew. Chem., 84, 820 (1972).
Strong Conformational Consequences of Hyperconjugation, R. Hoffmann, L. Radom, J. A. Pople, P. V. R. Schleyer, W. J. Hehre and L. Salem, J. Amer. Chem. Soc., 94, 6221 (1972).
The 9-Barbaralyl Cation, R. Hoffmann. W.-D. Stohrer and M. J. Goldstein, Bull. Chem. Soc. Japan, 45, 2513 (1972).
Barrier to Rotation about the Phosphorus-Nitrogen Bond in Aminofluorophosphoranes. Relevance to Rearrangements in Five-Coordinate Compounds, E. L. Muetterties, P. Meakin and R. Hoffmann, J. Amer. Chem. Soc., 94, 5674 (1972).
Role of Torsion in the Chirality of Twisted Olefins, C. C. Levin and R. Hoffmann, J. Amer. Chem. Soc., 94, 3446 (1972).
Crystal Structure of Dipotassium <U>cis</U>-Hexacyanobutenediide and the Electronic Structure of the Anion, E. Maverick, E. Goldish, J. Bernstein, K. N. Trueblood, S. Swaminathan and R. Hoffmann, J. Amer. Chem. Soc., 94, 3364 (1972).
Molecular Orbital Theory of Pentacoordinate Phosphorus, R. Hoffmann, J. M. Howell and E. L. Muetterties, J. Amer. Chem. Soc., 94, 3047 (1972).
Orbital Theory of Heterolytic Fragmentation and Remote Effects on Nitrogen Inversion Equilibria, R. Gleiter, W.-D. Stohrer and R. Hoffmann, Helv. Chim. Acta, 55, 893 (1972).
Bond Stretch Isomerism and Polytopal Rearrangements in (CH)5+, (CH)5-, and (CH)4CO, W.-D. Stohrer and R. Hoffmann, J. Amer. Chem. Soc., 94, 1661 (1972).
Potential Surfaces for the Addition of CH2 and CF2 to Ethylene and Isobutene, R. Hoffmann, D. M. Hayes and P. S. Skell, J. Phys. Chem., 76, 664 (1972).
A Potential Energy Surface for the Addition of Benzyne to Ethylene, D. M. Hayes and R. Hoffmann, J. Phys. Chem., 76, 656 (1972).
The Electronic Structure and Reactivity of Strained Tricyclic Hydrocarbons, W.-D. Stohrer and R. Hoffmann, J. Amer. Chem. Soc., 94, 779 (1972).
Zur Stabilisiering des Phenyl-Kations, R. Gleiter, R. Hoffmann and W.-D. Stohrer, Chem. Ber., 105, 8 (1972).
The Stabilization of Bridged Structures of Ethanes, R. Hoffmann and J. E. Williams, Jr., Helv. Chim. Acta, 55, 67 (1972).
The Theoretical Design of Novel Stabilized Systems, R. Hoffmann, Pure and Appl. Chem., 28, 181 (1971).
The Cope Rearrangement Revisited, R. Hoffmann and W.-D. Stohrer, J. Amer. Chem. Soc., 93, 6941 (1971).
Theory of the Structure and Reactivity of Small Rings, R. Hoffmann, Special Lectures at XXIIIrd International Congress of Pure and Applied Chemistry, Vol. 2, p. 233, Butterworths, London, 1971.
The Chemical Consequences of Orbital Interaction Through Space and Through Bonds, R. Hoffmann and W.-D. Stohrer, Special Lectures at XXXIIIrd International Congress of Pure and Applied Chemistry, Vol. 1, p. 157, Butterworths, London, 1971.
Through Bond Interactions of Non-Bonding Orbitals: The n,π* States of Azanaphthalenes, A. D. Jordan, I. G. Ross, R. Hoffmann, J. R. Swenson and R. Gleiter, Chem. Phys. Lett., 10, 572 (1971).
Symmetry, Topology and Aromaticity, M. J. Goldstein and R. Hoffmann, J. Amer. Chem. Soc., 93, 6193 (197l).
A Potential Surface for the Insertion of Singlet Methylene into a C-H Bond, R. C. Dobson, D. Hayes and R. Hoffmann, J. Amer. Chem. Soc., 93, 6188 (197l).
The Valence Orbitals of Cyclobutane, R. Hoffmann and R. B. Davidson, J. Amer. Chem. Soc., 93, 5699 (1971).
Chemical Reactivity of Molecules in Their Excited States, R. Hoffmann in Aspects de la Chimie Quantique Contemporaine, ed. R. Daudel and A. Pullman, CNRS, Paris, 1971.
Structural Effects of 3d Orbitals in Alkylidene Phosphoranes, D. B. Boyd and R. Hoffmann, J. Amer. Chem. Soc., 93, 1064 (1971).
A Potential Surface for a Nonlinear Cheletropic Reaction. The Decarbonylation of Cyclopropane, D. M. Hayes, C. A. Zeiss and R. Hoffmann, J. Phys. Chem., 75, 340 (197l).
Interaction of Orbitals Through Space and Through Bonds, R. Hoffmann, Accts. Chem. Res., 4, 1 (1971).
Geometry Changes in Excited States, R. Hoffmann, Pure and Appl. Chem., 24, 567 (1970).
The Interaction of Nonbonding Orbitals in Carbonyls, J. R. Swenson and R. Hoffmann, Helv. Chim. Acta, 53, 2331 (1970).
A Potential Surface for a Nonconcerted Reaction. Tetramethylene, R. Hoffmann, S. Swaminathan, B. G. Odell and R. Gleiter, J. Amer. Chem. Soc., 92, 7091 (1970).
The 2,3-Dimethylenetetramethylene Diradical, B. G. Odell, R. Hoffmann and A. Imamura, J. Amer. Chem. Soc. (B), 1675 (1970).
Planar Tetracoordinate Carbon, R. Hoffmann, R. W. Alder and C. F. Wilcox, Jr., J. Amer. Chem. Soc., 92, 2992 (1970).
The Norcaradiene-Cycloheptatriene Equilibrium, R. Hoffmann, Tetrah. Let., 11, 2907 (1970).
Bonding, Proton Transfer and Diradical Stabilization in Phosphonium Ylides, R. Hoffmann, D. B. Boyd and S. Z. Goldberg, J. Amer. Chem. Soc., 92, 3929 (1970).
The Interaction of Sulfur Atoms with Ethylene, R. Hoffmann, C. C. Wan and V. Neagu, Mol. Phys., 19, 113 (1970).
The Direct Calculation of Optical Rotatory Strengths, R. R. Gould and R. Hoffmann, J. Amer. Chem. Soc., 92, 1813 (1970).
Non-Least-Motion Potential Surfaces: The Dimerization of Methylenes and Nitroso Compounds, R. Hoffmann, R. Gleiter and F. B. Mallory, J. Amer. Chem. Soc., 92, 1460 (1970).
Interaction of Nonconjugated Double Bonds, R. Hoffmann, E. Heilbronner and R. Gleiter, J. Amer. Chem. Soc., 92, 706 (1970).
Orbital Symmetry Control of Chemical Reactions, R. Hoffmann and R. B. Woodward, Science, 167, 825 (1970).
Energy Parameters in Polypeptides. II. Semiempirical Molecular Orbital Calculations for Model Peptides, J. F. Yan, F. A. Momany, R. Hoffmann and H. A. Scheraga, J. Phys. Chem., 74, 420 (1970).
Ground and Excited State Geometries of Benzophenone, R. Hoffmann and J. R. Swenson, J. Phys. Chem., 74, 415 (1970).