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

Journal of the American Chemical Society

Volumn 105, Issue 5, 1983, Pages 1150-1162

  Hughbanks, Timothy ^a   Hoffmann, Roald ^a  

^a Department of Molecular Biology and Genetics   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 33845549950     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja00343a014     Document Type: Article

References (69)

1. Chevrel, R.; Sergent, M.; Prigent, J. J. Solid State Chem. 1971, 3, 515-519.
2. For reviews, see: Fisher, O. Appl. Phys. 1978, 16, 1-28.
3. Chevrel, R. In “Superconductor Materials Science: Metallurgy, Fabrication and Applications”; Foner, S., Schwartz, B. B., Eds.; Plenum Press: New York, 1981; Chapter 10.
4. Perrin, A.; Sergent, M.; Fisher, O. Mater. Res. Bull. 1978, 13, 259.
5. Perrin, A.; Chevrel, R.; Sergent, M.; Fischer, O. J. Solid State Chem. 1980, 33, 43-47.
6. Matthias, B. T.; Marezio, M.; Corenzwit, E.; Cooper, A. S.; Barz, H. E. Science (Washington, D.C.) 1972, 175, 1465-1466.
7. Burdett, J. K.; Lin, J.-H. Inorg. Chem. 1982, 21, 5-10.
8. Corbett, J. D. J. Solid State Chem. 1982, 39, 56-74.
9. Schöllhorn, R. Angew. Chem. 1980, 92, 1015-1035
10. Angew. Chem., Int. Ed. Engl. 1980, 19, 983-1003.
11. Fischer, O.; Seeher, B.; Decroux, M.; Chevrel, R.; Potel, M.; Sergent, M. In “Superconductivity in d- and f- Band Metals”; Sohl, H., Maple, M. B., Eds.; Academic Press: New York, 1980; pp. 485-499.
12. Grüttner, A.; Yvon, K.; Chevrel, R.; Potel, M.; Sergent, M.; Seeker, B. Acta Crystallogr., Sect. B 1979, B35, 285-292.
13. Potel, M.; Chevrel, R.; Sergent, M. Acta Crystallogr., Sect. B 1980, B36, 1319-1322.
14. Chevrel, R.; Potel, M.; Sergent, M.; Decroux, M.; Fischer, O. J. Solid State Chem. 1980, 34, 247-251.
15. Potel, M.; Chevrel, R.; Sergent, M.; Armici, J. C.; Decroux, M.; Fischer, O., Acta Crystallogr., Sect. B 1980, B36, 1545-1548.
16. Potel, M.; Chevrel, R.; Sergent, M. J. Solid State Chem. 1980, 35, 286-290.
17. Treatments of molecular systems are found in: Grossman, C. D.; Olsen, D. P.; Duffey, C. H. J. Chem. Phys. 1963, 38, 73-75.
18. Cotton, F. A.; Haas, T. E. Inorg. Chem. 1964, 3, 10-17.
19. Kettle, S. F. A. Theor. Chim. Acta 1965, 3, 211-212.
20. Guggenberger, L. J.; Sleight, A. W. Inorg. Chem. 1969, 8, 2041-2149.
21. Cotton, F.A.; Stanley, G.G. Chem. Phys. Lett. 1978, 58, 450-453.
22. Treatments with emphasis on the applications to the Chevrel phases include: Mattheiss, L. F.; Fong, C. Y. Phys. Rev. B: Solid State 1977, B15, 1760-1768.
23. Andersen, O. K.; Klose, W.; Nohl, H. Phys. Rev. B: Solid State 1978, B 17, 1209-1237.
24. Nohl, H.; Klose, W.; Andersen, O. K. In “Superconductivity in Ternary Compounds”; Fischer, O., Maple, M. B., Eds.; 1981; Chapter 6.
25. Bulle, D. W. Phys. Rev. Lett. 1977, 39, 664-666.
26. Jarlborg, T.; Freeman, A. J. J. Magn. Magn. Mater. 1980, 15-18, 1579-1580
27. Phys. Rev. Lett. 1980, 44, 178-182
28. additional work by these authors has been submitted for publication, Le Beuze, A.; Makhyoun, M. A.; Lissilour, R.; Chermette, H. J. Chem. Phys., submitted for publication. See also: Le Beuze, A.; Lissilour, R.; Chermette, H.; Potel, M.; Chevrel, R.; Sergent, M. Solid State Commun. 1982, 43, 19-23.
29. See, for example: Harrison, W. A. “Solid State Theory”; Dover: New York, 1980.
30. Ashcroft, N. W.; Mermin, N. D. “Solid State Physics”; Holt, Rinehart and Winston, New York, 1976.
31. Elian, M.; Hoffmann, R. Inorg. Chem. 1975, 14, 1058-1076.
32. Thorn, D. L.; Hoffmann, R. Inorg. Chem. 1978, 17, 126-140.
33. Schilling, B. R.; Hoffmann, R. J. Am. Chem. Soc. 1979, 101, 3456-3467.
34. Burdett, J. K. “Molecular Shapes”; Wiley; New York, 1980.
35. Mingos, D. M. P. Adv. Organomet. Chem. 1977, 15, 1-51
36. MTP Int. Rev. Sci:. Phys. Chem., Ser. Two 1975, 11, 121
37. Nature (London), Phys. Sci. 1972, 236, 99-102.
38. Hoffmann, R. Angew. Chem. 1982, 94, 725-739.
39. Baldareschi, A. Phys. Rev. B: Solid State 1973, B8, 5212-5215.
40. Chadi, D. J.; Cohen, M. L. Phys. Rev. B: Solid State 1973, B 8, 5747-5753.
41. Chadi, D. J. Phys. Rev. B: Solid State 1977, B 16, 1746-1747.
42. Monkhorst, H. J.; Pack, J. D. Phys. Rev. B: Solid State 1976, B 1 Í, 5188-5192.
43. Pack, J. D.; Monkhorst, H. J. Phys. Rev. B: Solid State 1977, B 16, 1748-1749.
44. Delk, F. S.; Sienko, M. J. Inorg. Chem. 1980, 19, 1353-1356.
45. Johnson, D.; Sienko, M. J., private communication.
46. Sergent, M.; Fischer, O.; Decroux, M.; Perrin, C.; Chevrel, R. J. Solid State Chem. 1977, 22, 87-92.
47. See, for example: “The Nature of the Surface Chemical Bond”; Rhodin, T. N., Ertl, G., Eds.; North Holland: Amsterdam, 1979.
48. Note that an approach which concentrates on charge densities alone will miss these “dangling bonds” since the levels we are concerned with are not occupied.
49. Hughbanks, T.; Hoffmann, R. Inorg. Chem. 1982, 21, 3578-3580.
50. In the actual structures the vertical mirror planes are not present. Our inclusion of the mirror planes does not affect results quoted-only a weak mixing between a1 and a2 orbitals is introduced by removing the mirror plane by distorting the chains slightly to observed geometries.
51. See, for example: Tinkham, M. “Group Theory and Quantum Mechanics”; McGraw-Hill: New York, 1964; Chapter 8.
52. Lax, M. “Symmetry Principles in Solid State and Molecular Physics”; Wiley: New York, 1974.
53. Kelly, P. J.; Andersen, O. K. In “Superconductivity in d- and f-Band Metals”, Sohl, H.; Maple, M. B., Eds.; Academic Press: New York, 1982, pp. 137-140.
54. Nohl, H.; Andersen, O. K. “Superconductivity in d- and f-Band Metals”, pp. 161-165.
55. Brosset, C. Ark. Kemi, Mineral. Geol. 1945, A20, No. 7.
56. Vaughan, P. A. Proc. Natl. Acad. Sci. U.S.A. 1950, 36, 461-464.
57. Spangenberg, M.; Bronger, W. Angew. Chem. 1978, 90, 382
58. Angew. Chem., Int. Ed. Engl. 1978, 17, 368.
59. Bronger, W.; Miessen, J.-J. J. Less-Common Met. 1982, 29-38.
60. Simon, A.; von Schnering, H.-G.; Scháfer, H. Z. Anorg. Allg. Chem. 1967, 355, 295-310.
61. Imoto, H.; Simon, A. Inorg. Chem. 1982, 21, 308-319.
62. Imoto, H.; Corbett, J. D. Inorg. Chem. 1980, 19, 1241-1245.
63. Michel, J. B.; McCarley, R. E. Inorg. Chem. 1982, 21, 1864-1872.
64. Cecconi, F.; Ghilardi, C. A.; Middolini, S. Inorg. Chlm. Acta 1982, 64, L47-L48.
65. Cecconi, F.; Ghilardi, C. A.; Middolini, S. J. Chem. Soc, Chem. Comm. 1981, 640-641.
66. Klepp, K.; Boiler, M. Monatsh. Chem. 1979, 110, 677-684.
67. Hoffmann, R. J. Chem. Phys. 1963, 39, 1397-1412.
68. Kubacek, P.; Hoffmann, R.; Havlas, Z. Organometallics 1982, 1, 180-188.
69. Hoffmann, R.; Shaik, S.; Scott, J. C.; Whangbo, M.-H.; Foshee, M. J. J. Solid State Chem. 1980, 34, 263-269.