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Roald Hoffmann

Articles 1980-1989

310.
TlI-TlI Interactions in the Molecular State : An MO Analysis

 C. Janiak and R. Hoffmann, Angew. Chem., 101, 1706-1708 (1989); Angew. Chem. Int. Ed. Engl., 28, 1688-1690 (1989).

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310.
TlI-TlI Interactions in the Molecular State : An MO Analysis
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309.
Covalent Effects in Molecule-Surface Charge Exchange: O2 on Ag(111)

M. C. Zonnevylle, P. J. van den Hoeck, R. A. van Santen and R. Hoffmann, Surf. Sci., 223, 233-257 (1989).

309.pdf (1.42 MB)

308.
Electronic Struvcture of a New Ternary Chalcogenide: NbNiTe5

J-F. Halet, R. Hoffmann, W. Tremel, E. W. Liimatta and J. A. Ibers, Chem. Mat. 1, 451-459 (1989)

307.
The Electronic Structure of One-Dimensional Linear Halogen-Bridged Gold- Chains

C. Janiak and R. Hoffmann, Inorg. Chem., 28, 2743-2747 (1989).

307.pdf (1.39 MB)

306.
Bonding in the SrSnP and CaGaN Structures

D. Lj. Vuckovic and R. Hoffmann, Math/Chem/Comp, 1988, ed. A. Graovac, Elsevier, Amsterdam, 1989, 327-338.

305.
Reactivity of Alkynes Toward M-η2-CS2 Metal Complexes. 3. The Couplin Products Obtainable with Bis-cyclopentadienyl Molybdenum Fragments and Their Relative Stability

F. Conan, J. Sala-Pala, J. Guerchais, R. Mercier, L. Toupet, J. Li, R. Hoffmann and C. Mealli, Organometallics, 8, 1929-1941 (1989).

305.pdf (1.56 MB)

304.
Reactivity of Alkynes Toward η-2-CS2 Metal Complexes. 2. A Theoretical Discussion on the Coupling Products Obtainable with Iron Fragments and Their Relative Stability

J. Li, R. Hoffmann and J. Silvestre, Organometallics, 8, 1921-1928 (1989)

304.pdf (861.71 KB)

303.
The Mode of Action of Carbonic Anhydrase

K. M. Merz, R. Hoffmann and M. J. S. Dewar, J. Amer. Chem. Soc., 111, 5636-5649 (1989).

303.pdf (1.41 MB)

302.
Citation Classic. A Simple Quantum Chemical Method

 R. Hoffmann, Current Contents, 29(19), 20 (1989).

302 eH origins.pdf (1.13 MB)

301.
Conjugation in the 3-Connected Net: The AlB2 and ThSi2 Structures and Their Transition Metal Derivatives

C. Zheng and R. Hoffmann, Inorganic Chemistry, 28, 1074-1080 (1989).

301s_0.pdf (678.91 KB)

300.
Adsorption of Organo-Rhodium Species on Metal-Oxide Surfaces: Theoretical Aspects

J.-F. Halet and R. Hoffmann, J. Amer. Chem. Soc., 111, 3548-3559 (1989).

300.pdf (1.23 MB)

299.
The Role of Surface Bonding on Liquid-Crystal Alignment at Metal Surfaces

P. N. Sanda, D. B. Dove, H. L. Ong, S. A. Jansen and R. Hoffmann, Phys. Rev. A., 39(5), 2653-2658 (1989).

299.pdf (284.12 KB)

298.
The Richness of Structures Available to CpMS4MCp Complexes

 W. Tremel, R. Hoffmann and E. D. Jemmis, Inorg. Chem., 28, 1213-1224 (1989).

298s_0.pdf (1.24 MB)

297.
Inorganic Rings, Intact and Cleaved, Between Two Metal Fragments

W. Tremel, R. Hoffmann and M. Kertesz, J. Amer. Chem. Soc., 111, 2030-2039 (1989).

297s_0.pdf (1.07 MB)

296.
How C-C Bonds Are Formed and How They Influence Structural Choices in Some Binary and Ternary Metal Carbides

J. Li and R. Hoffmann, Chem. Mat., 1, 83- 101 (1989).

296s_0.pdf (1.71 MB)

295.
Super-Dense Carbon, C8: Supercubane or Analogue of gamma-Si?

R. L. Johnston and R. Hoffmann, J. Amer. Chem. Soc., 111, 810-819 (1989).

295s_0.pdf (1.04 MB)

294.
Deformations in Mixed-Valence Cu(I)-Cu(II) Polymers

P. Sherwood and R. Hoffmann, Inorg. Chem., 28, 509-518 (1989).

294.pdf (1.15 MB)

293.
Metal-Metal Interactions, A Pairing Distortion, and S-Lined Channels in the M2Ta9S6 Structure

 M. J. Calhorda and R. Hoffmann, Inorg. Chem., 27, 4679-4686 (1988).

293s_0.pdf (844.48 KB)

292.
Dimensionality, Metal-Metal and Metal-Oxygen Bonding in the NaNb3O6 Structure

 M. J. Calhorda and R. Hoffmann, J. Amer. Chem. Soc., 110, 8376-8384 (1988).

292s_0.pdf (1.09 MB)

291.
Citation Classic. Bonding Capabilities of Transition Metal Carbonyl Fragments

M. Elian and R. Hoffmann, Current Contents, 28(44), 18 (1988).

citation classic elian.pdf (270.95 KB)

290.
Solids and Surfaces: A Chemist's View of Bonding in Extended Structures

R. Hoffmann, VCH, New York, 1988. Translated into Russian by A. L. Tchougreev, Mir, Moscow, 1990.

289.
Trans-Edge-Sharing Molybdenum Octahedra: A Reciprocal Space Approach to Metal-Metal Bonding in Finite Chains

 R. A. Wheeler and R. Hoffmann, J. Amer. Chem. Soc., 110, 7315-7325 (1988).

289.pdf (1.21 MB)

288.
A Reciprocal Space Approach to the Orbitals of Truncated Crystals

 R. A. Wheeler, L. Piela and R. Hoffmann, J. Amer. Chem. Soc., 110, 7302-7315 (1988).

288.pdf (1.78 MB)

287.
The Adsorption of Benzotriazole on Copper and Cuprous Oxide

M. C. Zonnevylle and R. Hoffmann, J. Vac. Sci. Tech., A6(3), 885-886 (1988).

287.pdf (449.24 KB)

286.
Isomorphous Substitution in Phyllosilicates as an Electronegativity Perturbation: Its Effect on Bonding and Charge Distribution

 W. F. Bleam and R. Hoffmann, Inorg. Chem., 27, 3180-3186 (1988).

286.pdf (1.48 MB)

285.
The Nature of the Bonding in Layered Compounds of Graphite with Transition Metals (in Russian)

W. Tremel, R. Hoffmann, M. E. Vol'pin and Yu. N. Novikov, Metalloorganicheskaya Khimia, 1, 1370 (1988).

285.pdf (1.38 MB)

284.
d10-d10 Interactions: Multinuclear Cu(I) Complexes

 K. M. Merz, Jr. and R. Hoffmann, Inorg. Chem., 27, 2120-2127 (1988).

284s_0.pdf (776.43 KB)

283.
Thiophene Hydrodesulfurization on MoS2; Theoretical Aspects

M. C. Zonnevylle, R. Hoffmann, and S. Harris, Surf. Sci., 199, 320-360 (1988).

283.pdf (2.97 MB)

282.
Bond-Stretch Isomerism in Transition-Metal Complexes

 Y. Jean, A. Lledos, J. K. Burdett and R. Hoffmann, J. Amer. Chem. Soc., 110, 4506-4516 (1988).

282s_0.pdf (1.25 MB)

281.
Electronic Mechanisms Associated with Bond-Stretch Isomerism in Transition-Metal Complexes

 Y. Jean, A. Lledos, J. K. Burdett, and R. Hoffmann, J. Chem. Soc., Chem. Commun., 140-142 (1988).

281s_0.pdf (2.87 MB)

280.
A Chemical and Theoretical Way to Look at Bonding on Surfaces

 R. Hoffmann, Rev. Mod. Phys., 60, 601-628 (1988).

280s_0.pdf (16.06 MB)

279.
Bonding and Coupling of C1 Fragments on Metal Surfaces

C. Zheng, Y. Apeloig and R. Hoffmann, J. Amer. Chem. Soc., 110, 749-774 (1988).

279s_0.pdf (3.17 MB)

278.
Surface Chemistry of Transition Metal Carbides: A Theoretical Analysis,

S. A. Jansen and R. Hoffmann, Surf. Sci., 197, 474-508 (1988).

278.pdf (2.63 MB)

277.
Ca3Al2Si2: an Inorganic Structure Analogous to but not Isoelectronic with Polyacene

J. Li and R. Hoffmann, J. Phys. Chem., 92, 887-893 (1988).

277s_0.pdf (1.12 MB)

276.
Orbital Interactions in Phyllosilicates: Perturbations of an Idealized Two-Dimensional Infinite Silicate Frame

 W. Bleam and R. Hoffmann, Phys. Chem. Minerals, 15, 398-408 (1988).

276s_0.pdf (16.43 MB)

275.
Complementary Local and Extended Views of Bonding in the ThCr2Si2 and CaAl2Si2 Structures

C. Zheng and R. Hoffmann, J. Sol. State Chem., 72, 58-71 (1988).

275s_0.pdf (23.91 MB)

274.
YCoC, A Simple Organometallic Polymer in the Solid State with Strong Co-C Bonding

R. Hoffmann, J. Li, and R. A. Wheeler, J. Amer. Chem. Soc., 109, 6600-6602 (1987).

274s_0.pdf (312.98 KB)

273.
How Chemistry and Physics Meet in the Solid State

R. Hoffmann, Angew. Chem., 99, 871-906 (1987); Angew. Chem. Int. Ed. Engl., 26, 846-878 (1987).

View PDF for
273.
How Chemistry and Physics Meet in the Solid State
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272.
3,4-Connected Carbon Nets: Through-Space and Through Bond Interactions in the Solid State

K. M. Merz, Jr., R. Hoffmann, and A. T. Balaban, J. Amer. Chem. Soc., 109, 6742-6751 (1987).

272s_0.pdf (945.86 KB)

271.
Summary Abstract: A Theoretical Analysis of the Deactivation of Metal Surfaces Upon Carburization

S. A. Jansen and R. Hoffmann, J. Vac. Sci. Tech., A5(4), 637-640 (1987).

271.pdf (617.93 KB)

270.
Summary Abstract: Electronic Factors in Thiophene Adsorption and Hydrodesulfurization on MoS2 Surfaces, Theoretical Aspects, M. C. Zonnevylle, R. Hoffmann, J. Vac. Sci. Tech.,A5(4), 635-637 (1987).

Summary Abstract: Electronic Factors in Thiophene Adsorption and Hydrodesulfurization on MoS2 Surfaces, Theoretical Aspects, M. C. Zonnevylle, R. Hoffmann, J. Vac. Sci. Tech., A5(4), 635-637 (1987).

270.pdf (508.04 KB)

269.
Electronic and Steric Factors Determining the Asymmetric Epoxidation of Allylic Alcohols by Titanium-Tartrate Complexes (The Sharpless Epoxidation)

 K. A. Jørgensen, R. A. Wheeler, and R. Hoffmann, J. Amer. Chem. Soc., 109, 3240-3246 (1987).

269.pdf (759.42 KB)

268.
Real and Hypothetical Examples of Bridging by η2-CS2 Ligands

 M. C. Zonnevylle, R. Hoffmann, C. Mealli, and C. Bianchini, Gazzetta Chimica Italiana, 117, 117-124 (1987).

267.
Coadsorbate Interactions: Sulfur and CO on Ni(100)

M. C. Zonnevylle and R. Hoffmann, Langmuir, 3, 452-459 (1987).

267.pdf (1.05 MB)

266.
Sigma Bond Cleavage in Coordinated Dioxygen: The Case of the µ-peroxo Complex, [(THF)3Cl2VIII-(022-)-VIIICl2(THF)3] and Vanadyl Formation in Solution

 P. Chandrasekhar, R. A. Wheeler and R. Hoffmann, Inorg. Chim. Acta, 129, 51-59 (1987).

266.pdf (701.31 KB)

265.
Bonding in BaPdSn3 Type Structures

 J. Li and R. Hoffmann, Z. Naturforsch., 41b, 1399-1415 (1987).

265s_0.pdf (15.37 MB)

264.
Tin Sulfide, (Te2)2I2 and Related Compounds: Symmetry Controlled Deformations in Solid State Materials

W. Tremel and R. Hoffmann, Inorg. Chem., 26, 118-127 (1987).

264.pdf (1.01 MB)

263.
Square Nets of Main Group Elements in Solid State Materials

W. Tremel and R. Hoffmann, J. Amer. Chem. Soc., 109, 124-140 (1987).

263s_0.pdf (1.79 MB)

262.
Bonding and Electronic Structure of Superconducting NbPS, D. A. Keszler and R. Hoffmann, J. Amer. Chem. Soc., 109, 118-124 (1987).

Bonding and Electronic Structure of Superconducting NbPS, D. A. Keszler and R. Hoffmann, J. Amer. Chem. Soc., 109, 118-124 (1987).

262s_0.pdf (798.51 KB)

261.
A New Magic Cluster Electron Count and Metal-Metal Multiple Bonding

 R. A. Wheeler and R. Hoffmann, J. Amer. Chem. Soc., 108, 6605-6610 (1986).

261s_0.pdf (736.02 KB)

260.
A Novel Route to Metallacyclopropene (η2-vinyl) Complexes from Alkynes: Synthesis and X-ray Crystal Structure of Trans-[ReCl(=C(CH2Ph)CH2) Ph2PCH2CH2PPH2)2[BF4]

A. J. Pombeiro, D. L. Hughes, R. L. Richards, J. Silvestre and R. Hoffmann, J. Chem. Soc., Chem. Commun., 108, 1125-1127 (1986).

260.pdf (330.08 KB)

259.
The Stereoelectronic Causes of an Unusual Coordination Geometry of an Acetylene

M. J. Calhorda and R. Hoffmann, Organometallics, 5, 2181-2187 (1986).

259.pdf (686.95 KB)

258.
Transition Metal Nitrides, Organic Polyenes, and Phosphazenes: A Structural and Orbital Analogy

R. A. Wheeler, R. Hoffmann and J. Strähle, J. Amer. Chem. Soc., 108, 5381-5387 (1986).

258s_0.pdf (762.06 KB)

257.
The Band Structure of MoSi2

J. Silvestre and R. Hoffmann, Rev. Chim. Miner, 23, 299-312 (1986).

256.
Double Carbonylation of Actinide Biscyclopentadienyl Complexes, Experimental and Theoretical Aspects

K. Tatsumi, A. Nakamura, P. Hofmann, R. Hoffmann, K. G. Moloy and T. J. Marks, J. Amer. Chem. Soc., 108, 4467-4476 (1986).

256.pdf (1.11 MB)

255.
Some Problems in the Oxidative Addition and Binding of an Ethylene to a Transition Metal Center

J. Silvestre, M. J. Calhorda, R. Hoffmann, P. O. Stoutland and R. G. Bergman, Organometallics, 5, 1841-1851 (1986).

255.pdf (1.22 MB)

254.
Reactivity of Alkynes toward η2-CX2 (X=S, Se) Metal Complexes. 1. The [2+2] Condensation of an Alkyne on a Metal Carbene: an Experimental and Theoretical Study. 2. Formation and X-Ray Structure of Unusual Doubly and Triply Condensed Cyclic Systems

C. Bianchini, C. Mealli, A. Meli, M. Sabat, J. Silvestre and R. Hoffmann, Organometallics, 5, 1733-1742 (1986).

254.pdf (1.08 MB)

253.
A Novel Electron Count and Metal-Metal Multiple Bonding in Trigonal Prismatic Clusters

 R. A. Wheeler and R. Hoffmann, Angew. Chem., 98, 828 (1986).

View PDF for
253.
A Novel Electron Count and Metal-Metal Multiple Bonding in Trigonal Prismatic Clusters
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252.
Transitions between NiAs and MnP Type Phases; An Electronically Driven Distortion of Triangular (36) Nets

W. Tremel, R. Hoffmann and J. Silvestre, J. Amer. Chem. Soc., 108, 5174-5187 (1986).

252s_0.pdf (1.5 MB)

251.
H-H and C-H Activation Reactions at d0 Metal Centers

H. Rabaâ, J.-Y. Saillard and R. Hoffmann, J. Amer. Chem. Soc., 108, 4327-4333 (1986).

251s_0.pdf (749.1 KB)

250.
Adsorption of Methoxy on Cu(100)

 D. Zeroka and R. Hoffmann, Langmuir, 2, 553-558 (1986).

250.pdf (673.25 KB)

249.
Symmetric vs. Asymmetric Linear M-X-M Linkages in Molecules, Polymers and Extended Networks

R. A. Wheeler, M.-H. Whangbo, T. Hughbanks, R. Hoffmann, J. K. Burdett and T. A. Albright, J. Amer. Chem. Soc., 108, 2222-2236 (1986).

249s_0.pdf (1.6 MB)

248.
Moving from Discrete Molecules to Extended Structures: A Chemical and Theoretical Approach to the Solid State

R. Hoffmann and C. Zheng, in Quantum Chemistry: The Challenge of Transition Metals and Coordination Chemistry, ed. A. Veillard, D. Reidel Publishing Co., 1986, 425-443.

247.
A Theoretical and Chemical View of Surface Chemistry: Chemisorption and Reactions of Acetylene

J. Silvestre and R. Hoffmann, J. Vac. Sci. Technol. A, 4(3), 1336-1342 (1986).

247.pdf (671.26 KB)

246.
Donor Acceptor Layer Formation in the Solid: The CaBe2Ge2 Structure

C. Zheng and R. Hoffmann, J. Amer. Chem. Soc., 108, 3078-3088 (1986).

246s_0.pdf (1.11 MB)

245.
A Frontier Orbital Investigation of the Mechanism of Epoxidation of Alkenes Using [MoO(O2), M=Cr, Mo, W]

 K. A. Jørgensen and R. Hoffmann, Acta Chem. Scand. B, 40, 411-419 (1986).

245.pdf (923.3 KB)

244.
The Close Ties Between Organometallic Chemistry, Surface Science and The Solid State

 R. Hoffmann, Pure Appl. Chem., 58, 481-494 (1986).

244.pdf (373.3 KB)

243.
A Second-Order Jahn-Teller Distortion in the Solid: The Phase Transition in VSx.

J. Silvestre, W. Tremel and R. Hoffmann, J. Less. Comm. Met., 116, 113-128 (1986).

243.pdf (994.57 KB)

242.
NO Chemisorption on Ni(111): Coverage Effects, Site Preferences and Adsorption Geometry

S. Sung, R. Hoffmann and P. A. Thiel, J. Phys. Chem., 90, 1380-1388 (1986).

242.pdf (1.01 MB)

241.
Site Preferences and Bond Length Differences in CaAl2Si2 Type Zintl Compounds

 C. Zheng, R. Hoffmann, R. Nesper and H.-G. von Schnering, J. Amer. Chem. Soc., 108, 1876-1884 (1986).

241s_0.pdf (811.31 KB)

240.
Binding of Alkenes to the Ligands in OsO2X2(X=O, NR) and CpCo(NO)2. A Frontier Orbital Study of the Formation of Intermediates in the Transition Metal Catalyzed Synthesis of Diols, Amino Alcohols and Diamines

 K. A. Jørgensen and R. Hoffmann, J. Amer. Chem. Soc., 108, 1867-1876 (1986).

240.pdf (1.04 MB)

239.
An Unusual Trimetallic Cluster and its Hypothetical Solid State Counterparts

M. C. Zonnevylle, J. Silvestre and R. Hoffmann, J. Amer. Chem. Soc., 108, 1509-1517 (1986).

239.pdf (924.72 KB)

238.
An Unusual Electron Count and Electron-Deficient Multi-Center Bonding in One Class of Intermetallics: The BaAl4, CaAl2Zn2, CeMg2Si2 and FCC Al Structures

 C. Zheng and R. Hoffmann, Z. Naturforsch., 41b, 292-320 (1986).

238s_0.pdf (25.02 MB)

237.
The Mechanism of Generation of Hydrogen from Transition Metal Dithiolenes

 S. Alvarez and R. Hoffmann, Anal. Soc. Real., 82, 52-56 (1986).

237.pdf (2.41 MB)

236.
Tetrahedral and Square Planar One-Dimensional Chains: The Interplay of Crystal Field and Band Width in MS2 Compounds

 J. Silvestre and R. Hoffmann, Inorg. Chem., 24, 4108-4119 (1985).

236s_0.pdf (1.31 MB)

235.
Making and Breaking Bonds in the Solid State: The ThCr2Si2 Structure

C. Zheng and R. Hoffmann, J. Phys. Chem., 89, 4175-4181 (1985).

235s_0.pdf (718.68 KB)

234.
Bonding in Some Nitrosylated Iron-Sulfur Clusters

 S. Sung, C. Glidewell, A. R. Butler and R. Hoffmann, Inorg. Chem., 24, 3856-3859 (1985).

234.pdf (470.42 KB)

233.
C2Hn Fragments on Transition Metal Surfaces

 J. Silvestre and R. Hoffmann, Langmuir, 1, 621-647 (1985).

233s_0.pdf (2.97 MB)

232.
Hydrogen Migration in Transition Metal Alkyne and Related Complexes

 J. Silvestre and R. Hoffmann, Helv. Chim. Acta., 68, 1461-1507 (1985).

232_1.pdf (2.38 MB)

231.
A Possible Mechanism of Formation of Polynuclear Molybdenum Clusters

J. Huang, J. Lu, Y. Jiang and R. Hoffmann, Scientia Sinica., 28, 1035-1041 (1985).

230.
Triangular Platinum and Nickel Clusters: The "Tinker-Toy" Construction of Chains with High Nuclearity

 D. J. Underwood, R. Hoffmann, K. Tatsumi, A. Nakamura and Y. Yamamoto, J. Amer.Chem. Soc., 107, 5968-5980 (1985).

230s_0.pdf (1.41 MB)

229.
Dimerization and Stacking in Transition Metal Bisdithiolenes and Tetrathiolates

 S. Alvarez, R. Vicente and R. Hoffmann, J. Amer. Chem. Soc., 107, 6253-6277 (1985).

229s_0.pdf (2.35 MB)

228.
Hypervalent Tellurium in One-dimensional Extended Structures Containing Te5n- Units

J. Bernstein and R. Hoffmann, Inorg. Chem., 24, 4100-4108 (1985).

228s_0.pdf (984.91 KB)

227.
CO Activation by Biscyclopentadienyl Complexes of Group IV Metal and Actinides: η2 - Acyl Complexes

K. Tatsumi, A. Nakamura, P. Hofmann, P. Stauffert and R. Hoffmann, J. Amer. Chem. Soc., 107, 4440-4451 (1985).

227.pdf (1.33 MB)

226.
η2 - Acyl Complexes of Group IV Metals and of Actinides

 P. Hofmann, P. Stauffert, K. Tatsumi, A. Nakamura and R. Hoffmann, Organometal., 4, 404-406 (1985).

226.pdf (406.14 KB)

225.
Hydride Bridges Between LnCp2 Centers

 J. V. Ortiz and R. Hoffmann, Inorg. Chem., 24, 2095-2104 (1985).

225.pdf (926.87 KB)

224.
Six and Five Vertex Organometallic Clusters

J.-F. Halet, R. Hoffmann and J.-Y. Saillard, Inorg. Chem., 24, 1695-1700 (1985).

224.pdf (702.95 KB)

223.
Binuclear and Polymeric Gold (I) Complexes

Y. Jiang, S. Alvarez and R. Hoffmann, Inorg. Chem., 24, 749-757 (1985).

223s_0.pdf (922.02 KB)

222.
The Regiospecific Reaction of Nucleophiles with η5 - cyclohexadienyl) (η6 - arene) FeII cations: A Frontier Orbital controlled Route to (η4 - cyclohexadiene) (η6- benzene) Fe0 and Derivatives

 D. Astruc, P. Michaus, A. M. Madonik, J.-Y. Saillard and R. Hoffmann, Nouv. J. Chim., 9, 41-50 (1985).

221.
N- vs. O-Linkage and σ vs. π Bonding in Transition Metal Complexes of N20 and NCO-

 D. F. Tuan and R. Hoffmann, Inorg. Chem., 24, 871-876 (1985).

221.pdf (668.37 KB)

220.
How Carbon Monoxide Bonds to Metal Surfaces

 S. Sung and R. Hoffmann, J. Amer. Chem. Soc., 107, 578-584 (1985).

220s_0.pdf (778.61 KB)

219.
Lead Monoxide: Electronic Structure and Bonding

G. Trinquier and R. Hoffmann, J. Phys. Chem., 88, 6696-6711 (1984).

219s_0.pdf (1.46 MB)

218.
Trinuclear Clusters of Early Transition Metals: Jahn-Teller Distortions and Electronic Structure

 Y. Jiang, A. Tang, R. Hoffmann, J. Huang and J. Lu, Organometallics, 4, 27-34 (1984).

218.pdf (846.13 KB)

217.
Evaluation of Moments and Their Application in Hückel MO Theory

Y. Jiang, A. Tang and R. Hoffmann, Theor. Chim. Acta., 66, 183-192 (1984).

217.pdf (365.13 KB)

216.
The Graphite to Diamond Transformation

M. Kertesz and R. Hoffmann, J. Sol. State Chem., 54, 313-319 (1984).

216.pdf (425.81 KB)

215.
The Reactivity of Transition Metal Cluster Carbides which have an Exposed Carbon Atom

S. D. Wijeyesekera, R. Hoffmann and C. N. Wilker, Organometallics, 3, 962-970 (1984).

215.pdf (1.03 MB)

214.
Transition Metal Carbides: A Comparison of Bonding in Extended and Molecular Interstitials

S. D. Wijeyesekera and R. Hoffmann, Organometallics, 3, 949-961 (1984).

214s_0.pdf (1.54 MB)

213.
σ- vs. π;-Bonding in Organoactinides and Possibilities of CO Coordination to Actinides

 K. Tatsumi and R. Hoffmann, Inorg. Chem., 23, 1633-1634 (1984).

213.pdf (226.49 KB)

212.
Alkyl Shifts Between Transition Metals and Coordinated Main Group Atoms

J. V. Ortiz, Z. Havlas and R. Hoffmann, Helv. Chim. Acta, 67, 1-17 (1984).

212.pdf (660.25 KB)

211.
Alkyne Scission on a Trimetallic Framework: Experimental Evidence and Theoretical Analysis

A. D. Clauss, J. R. Shapley, C. N. Wilker and R. Hoffmann, Organometallics, 3, 619-623 (1984).

211.pdf (634.05 KB)

210.
Dinuclear Reductive Eliminations

G. Trinquier and R. Hoffmann, Organometallics, 3, 370-380 (1984).

210s_0.pdf (1.02 MB)

209.
Octahedral vs. Trigonal Prismatic Coordination and Clustering in Transition Metal Dichalcogenides

M. Kertesz and R. Hoffmann, J. Amer. Chem. Soc., 106, 3453-3460 (1984).

209s_0.pdf (808.23 KB)

208.
Finite and Infinite Ribbons: From Platinum Alkyne Complexes to Extended Structures of the K2PtAs2 Type

 D. J. Underwood, M. Nowak and R. Hoffmann, J. Amer. Chem. Soc., 106, 2837-2847 (1984).

208s_0.pdf (1.13 MB)

207.
C-H and H-H Activation in Transition Metal Complexes and on Surfaces

J.-Y. Saillard and R. Hoffmann, J. Amer. Chem. Soc., 106, 2006-2026 (1984).

207s_0.pdf (1.97 MB)

206.
A One-Dimensional Polymeric Ribbon Alternative to the Aggregation of d8 ML4 Fragments

 R. Hoffmann, C. Minot and H. B. Gray, J. Amer. Chem. Soc., 106, 2001-2005 (1984).

206s_0.pdf (464.79 KB)

205.
A Molecular Orbital Analysis of the Bonding Capabilities of CS2 and CO2 Toward Transition Metal Fragments

C. Mealli, R. Hoffmann and A. Stockis, Inorg. Chem., 23, 56-65 (1984).

205.pdf (1.18 MB)

204.
Stabilizing Cyclic Ozone Through Transition Metal Complexation

S. Sung and R. Hoffmann, J. Mol. Sci., (Wuhan, China), 1, 1-12 (1983).

204.pdf (487.24 KB)

203.
Complexes With Interactions Between Metals and Aliphatic Groups of Boron Compounds. I. Synthesis and Reactivity of (η5-Cyclopentadienyl)-Cobalt (η5 - 1.3 Diborolene) Complexes. A Novel Type of Sandwich Compounds with a Penta-Coordinated Carbon Atom. Molec

Molecular Structure of (η5 - Cyclopentadienyl) cobalt 1.3.4.5-Tetraethyl-2-Methyl-2.3 Diborolene; Extended Hückel, and INDO MO studiesiborolene) Complexes. A Novel Type of Sandwich Compounds with a Penta-Coordinated , J. Edwin, M. C. Bohn, N. Chester, D. M. Hoffman, R. Hoffmann, H. Pritzkow, W. Siebert, K. Stumpf and H. Wadepohl, Organometallics, 2, 1666-1674 (1983).

203.pdf (1.11 MB)

202.
Higher Order Peierls Distortion of One-Dimensional Carbon Skeletons

M. Kertesz and R. Hoffmann, Sol. State Comm., 47, 97-102 (1983).

202s.pdf (234.2 KB)

201.
Marcasite and Arsenopyrites: Structure, Bonding and Electrical Properties

 S. D. Wijeyesekera and R. Hoffmann, Inorg. Chem., 22, 3287-3300 (1983).

201.pdf (1.46 MB)

200.
Change of C-C Bond Length in Layers of Graphite upon Charge Transfer

 M. Kertesz, F. Vonderviszt and R. Hoffmann, in Intercalated Graphites, ed. M. S. Dresselhaus, Elsevier, 1983.

199.
Coupling Methylenes, Methylenes and Other π-Systems on One or Two Metal Centers

C. N. Wilker, R. Hoffmann and O. Eisenstein, Nouv. J. Chim., 7, 535-544 (1983).

199s_0.pdf (13.52 MB)

198.
Metallacyclobutane Rearrangements

C. N. Wilker and R. Hoffmann, J. Amer. Chem. Soc., 105, 5285-5290 (1983).

198s_0.pdf (645.72 KB)

197.
A Hypothetical Metallic Allotrope of Carbon

 R. Hoffmann, T. Hughbanks, M. Kertesz and P. H. Bird, J. Amer. Chem. Soc., 105, 4831-4832 (1983).

197.pdf (292.28 KB)

196.
Chains of Trans-Edge Sharing Molybdenum Octahedra: Metal-Metal Bonding in Extended Systems

T. Hughbanks and R. Hoffmann, J. Amer. Chem. Soc., 105, 3528- 3537 (1983).

196s_0.pdf (1.66 MB)

195.
Haptotropic Rearrangements of Polyene-MLn Complexes. II. Bicyclic Polyene- MCp, -M(CO)3 Systems

T. A. Albright, P. Hofmann, R. Hoffmann, C. P. Lillya and P. A. Dobosh, J. Amer. Chem. Soc., 105, 3396-3411 (1983).

195s_0.pdf (1.78 MB)

194.
Molybdenum Chalcogenides: Clusters, Chains and Extended Solids. The Approach to Bonding in Three Dimensions

T. Hughbanks and R. Hoffmann, J. Amer. Chem. Soc., 105, 1150-1162 (1983).

194.pdf (1.33 MB)

193.
A Theoretical Prescription for Reductive Coupling of CO and CNR Ligands

R. Hoffmann, C. N. Wilker, S. J. Lippard, J. L. Templeton and D. C. Brower, J. Amer. Chem. Soc., 105, 146-147 (1983).

193s_0.pdf (277.07 KB)

192.
Dimetallated Olefins

 D. M. Hoffman and R. Hoffmann, Organometal., 1, 1299-1302 (1982).

192.pdf (401.8 KB)

191.
On the Existence of Binuclear π-Bonded Dinitrogen Complexes

K. I. Goldberg, D. M. Hoffman and R. Hoffmann, Inorg. Chem., 21, 3863-3868 (1982).

191.pdf (604.91 KB)

190.
The (Mo3Se3-) Chain

T. Hughbanks and R. Hoffmann, Inorg. Chem., 21, 3578-3580 (1982).

190s_0.pdf (369.29 KB)

189.
Oxygen K near-edge fine structure: An electron-energy-loss investigation with comparisons to new theory for selected 3e transition-metal oxides

 L. A. Grunes, R. D. Leapman, C. N. Wilker, R. Hoffmann and A. B. Kunz, Phys. Rev. B, 25, 7157-7173 (1982).

189.pdf (1.92 MB)

188.
Building Bridges Between Inorganic and Organic Chemistry

R. Hoffmann, in Les Prix Nobel 1981, Almqvist and Wiksell, Stockholm 1982. Reprinted in Angew. Chem., 94, 725-738 (1982); Angew. Chem. Int. Ed. Engl., 21, 711-724 (1982). Reprinted in Kemija u Industriji, 32, 603-618 (1983).

View PDF for
188.
Building Bridges Between Inorganic and Organic Chemistry
 (external)

187.
Electronic Origin of the Thermochromic Effect in 2, 2', 5, 5': Tetramethyldistibolyl

T. Hughbanks, R. Hoffmann, M.-H. Whangbo, K. A. Stewart, O. Eisenstein and E. Canadell, J. Amer. Chem. Soc., 104, 3876-3879 (1982).

187.pdf (440.9 KB)

186.
The Transformations of Parallel and Perpendicular L2M(η-Acetylene)ML2 Complexes

D. M. Hoffman and R. Hoffmann, J. Chem. Soc., Dalton Trans., 1471-1482 (1982).

186.pdf (1001.42 KB)

185.
Perpendicular and Parallel Acetylene Complexes

D. M. Hoffman, R. Hoffmann and C. R. Fisel, J. Amer. Chem. Soc., 104, 3858-3875 (1982).

185s_0.pdf (1.73 MB)

184.
Novel Acetylene Mo(II) Complexes, Mo(t-BuS)2(t-BuNC)2(RCCR') R, R' = H or Ph

M. Kamata, T. Yoshida, S. Otsuka, K. Hirotsu, T. Higuchi, M. Kida, K. Tatsumi and R. Hoffmann, Organometallics, 1, 227-230 (1982).

184.pdf (460.11 KB)

183.
Cyclobutadiene Complexes and the Role of Ligand Nonbonding or Peripheral Orbitals

S.-Y. Chu and R. Hoffmann, J. Phys. Chem., 86, 1289-1297 (1982).

183.pdf (991.3 KB)

182.
Structural and Theoretical Evidence for Participation of the Second Acetylene π Orbital in Transition Metal Alkyne Complexes

 K. Tatsumi, R. Hoffmann and J. Templeton, Inorg. Chem., 21, 466-468 (1982).

182_0.pdf (296.19 KB)

181.
Reductive Elimination

 R. Hoffmann, in IUPAC. Frontiers of Chemistry, ed. K. J. Laidler, Pergamon Press, Oxford 1982, 247-263.

181s_0.pdf (14.23 MB)

180.
On Coupling Carbenes and Carbynes, R. Hoffmann

R. Hoffmann, C. N. Wilker and O. Eisenstein, J. Amer. Chem. Soc., 104, 632-634 (1982).

180s_0.pdf (389.93 KB)

179.
Piano Stool Complexes of the CpML4 Type

P. Kubacek, R. Hoffmann and Z. Havlas, Organometallics, 1, 180-188 (1982).

179s_0.pdf (992.53 KB)

178.
Theoretical Studies of Some Metalloporphyrins of Unusual Structure

K. Tatsumi and R. Hoffmann, in Hemoglobin and Oxygen Binding, ed. Chien Ho, Elsevier North Holland Inc., 1982, p. 75.

177.
A Reaction Path for Halogen Elimination from CX2Y2 and its Dynamical Implications

S. R. Cain, R. Hoffmann and E. R. Grant, J. Phys. Chem., 85, 4046-4051 (1981).

177.pdf (634.66 KB)

176.
Quantenchemische Berechnungen von SiO2-Oberflächenclustern und ihren Adsorptions-und Oberflächenreaktionen

 H. H. Dunken and R. Hoffmann, Z. Phys. Chem., 125, 207-238 (1981).

175.
Metalloporphyrins with Unusual Geometries. II. Slipped and Skewed Bimetallic Structures, Carbene and Oxo Complexes, Insertions into Metal-Porphyrin Bonds

K. Tatsumi and R. Hoffmann, Inorg. Chem., 20, 3771-3784 (1981).

175s_0.pdf (1.54 MB)

174.
A-Frames

 D. M. Hoffman and R. Hoffmann, Inorg. Chem., 20, 3543-3555 (1981).

174s_0.pdf (1.3 MB)

173.
Extended Hückel Molecular Orbital Calculations on Dodecahedral Metalloboranes which do not Conform to the Polyhedral Skeletal Electron Pair Theory

D. N. Cox, D.M.P. Mingos and R. Hoffmann, J. Chem. Soc. Dalton Trans., 1788-1797 (1981).

173_0.pdf (1.02 MB)

172.
A Highly Distorted Octahedral d4 Compound, Mo(t-BuS)2(t-BuNC)4

M. Kamata, K. Hirotsu, T. Higuchi, K. Tatsumi, R. Hoffmann and S. Otsuka, J. Amer. Chem. Soc., 103, 5772-5778 (1981).

172.pdf (881.59 KB)

171.
Some Geometrical and Electronic Features of the Intermediate Stages of Olefin Metathesis

O. Eisenstein, R. Hoffmann and A. R. Rossi, J. Amer. Chem. Soc., 103, 5582-5584 (1981).

171.pdf (378.68 KB)

170.
Transition-Metal Complexed Olefins: How Their Reactivity Toward a Nucleophile Relates to Their Electronic Structure

O. Eisenstein and R. Hoffmann, J. Amer. Chem. Soc., 103, 4308-4320 (1981).

170s_0.pdf (1.48 MB)

169.
Metalloporphyrins with Unusual Geometries, I. Mono-, Di-, Tri-Atom, Bridged Porphyrin Dimers

 K. Tatsumi and R. Hoffmann, J. Amer. Chem. Soc., 103, 3328-3341 (1981).

169s_0.pdf (1.68 MB)

168.
Deformations from Octahedral Geometry in d4 Transition Metal Complexes

P. Kubacek and R. Hoffmann, J. Amer. Chem. Soc., 103, 4320-4332 (1981).

168.pdf (1.48 MB)

167.
Reductive Elimination of d8-Organotransitionmetal Complexes

K. Tatsumi, R. Hoffmann, A. Yamamoto and J. K. Stille, Bull. Chem. Soc., Japan, 54, 1857-1867 (1981).

167s_0.pdf (1.55 MB)

166.
Nickelacyclopentane Complexes, A Theoretical Investigation

 R. J. McKinney, D. L. Thorn, R. Hoffmann and A. Stockis, J. Amer. Chem. Soc., 103, 2595-2603 (1981).

166.pdf (854.64 KB)

165.
Theoretical Organometallic Chemistry

R. Hoffmann, Science, 211, 995-1002 (1981); substantially the same material under the title Fragment Orbitals _ a Unifying Principle in Theoretical Organometallic Chemistry appears in Wiss. Zeitschr. Friedrich Schiller Univ. Jena, Math.- Nat. R.

165s.pdf (1.27 MB)

164.
Unusual M-C-H Angles, C-H Bond Activation, and α-Hydrogen Abstraction in Transition Metal Carbene Complexes

 R. J. Goddard, R. Hoffmann and E. D. Jemmis, J. Amer. Chem. Soc., 102, 7667-7676 (1980).

164s_0.pdf (1.03 MB)

163.
Hypothetical Strain-Free Oligoradicals

O. Eisenstein, R. Hoffmann and A. T. Balaban, Proc. Natl. Acad. Sci. USA, 77, 5588-5592 (1980).

163_0.pdf (662.03 KB)

162.
Activation of a Coordinated Olefin Toward Nucleophilic Attack

O. Eisenstein and R. Hoffmann, J. Amer. Chem. Soc., 102, 6148-6149 (1980).

162.pdf (240.29 KB)

161.
Bent cis d0 MoO2]2+ vs Linear trans d0f0 UO2]2+ : A Significant Role for Nonvalence 6p orbitals in Uranyl

 K. Tatsumi and R. Hoffmann, Inorg. Chem., 19, 2656-2658 (1980).

161s_0.pdf (352.55 KB)

160.
Single Atom Bridged Porphyrin Dimers

 K. Tatsumi, R. Hoffmann, and M.-H. Whangbo, J. Chem. Soc., Chem. Commun., 509-511 (1980).

160s_0.pdf (2.99 MB)

159.
Bridged and Unbridged M2L10 Complexes

S. Shaik, R. Hoffmann, C. R. Fisel and R. H. Summerville, J. Amer. Chem. Soc., 102, 4555-4572 (1980).

159s_0.pdf (2 MB)

158.
Metallocyclopentanes and Bis-Olefin Complexes

 A. Stockis and R. Hoffmann, J. Amer. Chem. Soc., 102, 2952-2962 (1980).

158.pdf (1.02 MB)

157.
The Electronic Structure of NbSe3

R. Hoffmann, S. Shaik, J. C. Scott, M.-H. Whangbo and M. J. Foshee, J. Solid State Chem., 34, 263-369 (1980).

157.pdf (546.27 KB)

156.
A Class of Trinuclear Clusters with Carbonyl Bridging

A. R. Pinhas, T. A. Albright, P. Hofmann and R. Hoffmann, Helv. Chim. Acta, 63, 29-49 (1980).

156.pdf (957.65 KB)

155.
Cp2M2(CO)4 - Quadruply Bridging, Doubly Bridging, Semi-Bridging or Non- Bridging?

E. D. Jemmis, A. R. Pinhas and R. Hoffmann, J. Amer. Chem. Soc., 102, 2576-2585 (1980).

155.pdf (1.16 MB)

154.
Cleaving CC Bonds in Cyclopropenium Ions and Cyclopropenones

 E. D. Jemmis and R. Hoffmann, J. Amer. Chem. Soc., 102, 2570-2575 (1980).

154.pdf (573.99 KB)

153.
Why Some Binuclear Complexes Bridge, While Others, Even Though They Might Have a Quadruple Bond Available to Them, Do Not

 S. Shaik and R. Hoffmann, J. Amer. Chem. Soc., 102, 1194-1196 (1980).

153s_0.pdf (375.16 KB)

152.
Band Structure of Face-Sharing Octahedral MX3n- Chains

M.-H. Whangbo, M. J. Foshee and R. Hoffmann, Inorg. Chem., 19, 1723-1728 (1980).

152s_0.pdf (771.89 KB)