Joint Molecular Mechanics and Atom - Atom Pair Potential Computations on the Solid State Dynamics of [Fe3(CO)12]1

Inorganic Chemistry

Volumn 35, Issue 6, 1996, Pages 1725-1728

  Sironi, Angelo ^a  

^a Dipartimento di Chimica Strutturale   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0344345586     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic9500063     Document Type: Article

References (45)

1. This article is based on a lecture presented at the Workshop on Theoretical Aspects organized by the ESF Network on Metal Clusters, Isle of Thorns, Sussex, England, July 1994.
2. Desirato, R., Jr.;Dobson, G. R. J. Chem. Educ. 1982, 59, 752.
3. (a) Adams, N.;Bailey, N. A.;Bentley, G W.;Mann, B E. J. Chem. Soc., Dalton Trans. 1989, 1831
4. (b) Johnson, B. F. G.;Bott, A. J. Chem. Soc., Dalton Trans. 1990, 2437,
5. (c) Johnson, B. F. G.;Roberts, Y. V.;Parisini, E. J. Chem. Soc., Dalton Trans. 1992, 2573.
6. (d) Cotton, F. A.;Hunter, D. L. Inorg. Chim. Acta 1974, 11, L9.
7. (a) Dobos, S ; Nunziante-Cesaro, S.;Maltese, M. Inorg. Chim. Acta 1986, 113, 167.
8. (b) Binstead, N.;Evans, J.;Greaves, G. N.;Prince, R. J. J. Chem. Soc., Chem. Commun. 1987, 1330.
9. (a) Wei, C H.;Dahl, L. F. J. Am. Chem. Soc. 1969, 91, 1351.
10. (b) Cotton, F. A.;Troup, J. M. J. Am. Chem. Soc. 1974, 96, 4155.
11. (c) Churchill, M. R.;Fettinger, J. C. Organometallics 1990, 9, 752.
12. (d) Braga, D.;Farrugia, L.;Grepioni, F.;Johnson, B. F. G. J. Organomet. Chem. 1994, 464, C39.
13. (e) Braga, D.;Farrugia, L.;Grepioni, F.;Johnson, B. F. G. J. Chem. Soc., Dalton Trans. 1994, 2911.
14. (a) Dorn, H.;Hanson, B. E.;Motell, E. Inorg. Chim. Acta 1981, 54, L71.
15. (b) Gleeson, J. W.;Vaughan, R. W. J. Chem. Phys. 1983, 78, 5384.
16. (c) Hanson, B. E.;Lisic, E. C.;Petty, J. T.;Iannacone, G. A. Inorg. Chem. 1986, 25, 4062.
17. (d) Walter, T. H.;Reven, L.;Oldfield, E. J. Phys. Chem. 1989, 93, 1320.
18. (e) Anson, C. E.;Benfield, R. E.;Bott, A. W.;Johnson, B. F. G.;Braga, D.;Marselia, E. A. J. Chem. Soc., Chem. Commun. 1988, 889.
19. (f) Braga, D., Anson, C. E.;Bott, A.;Johnson, B. F. G.;Marselia, E. A. J. Chem. Soc., Dalton Trans. 1990, 3517.
20. Cotton, F. A. Prog. Inorg Chem. 1976, 21, 1.
21. Johnson, B. F. G.;Roberts, Y. V. Polyhedron 1993, 12, 977.
22. Lauher, J. W. J. Am. Chem. Soc. 1986, 108, 1521.
23. Allinger, N. L.;Yuh., Y. H. QCPE No. 395.
24. (a) Allinger, N. L.;Yuh, Y. H.;Lii, J.-H. J. Am. Chem. Soc. 1989, 111, 8551.
25. (b) Lii, J.-H., Allinger, N. L. J. Am. Chem. Soc. 1989, 111, 8566.
26. (c) Lii, J.-H.;Allinger, N. L. J. Am. Chem. Soc. 1989, 111, 8576.
27. Sironi, A. Inorg. Chem. 1992, 31, 2467.
28. Sironi, A. Inorg. Chem. 1995, 34, 1432.
29. Osawa, E. In Reactivity in Molecular Crystals; Ohashi, Y., Ed.;Kodansha and VCH: Tokyo and Weiheim, Germany, 1993; p 1.
30. Nachbar, R. B., Jr.;Mislow, K. QCPE No. 514.
31. Sironi, A.;Moret, M. To be published.
32. (a) Churchill, M. R.;Hollander, F. J.;Hutchinson, J. P. Inorg. Chem. 1977, 16, 2655.
33. (b) Aime, S., Gambino, O.;Milone, L.;Sappa, E.;Roseraberg, E. Inorg. Chim. Acta 1975, 15, 53.
34. (c) Aime, S.;Botta, M.;Gobetto, R.;Osella, D.;Milone, L. Inorg. Chim. Acta 1988, 146, 151.
35. (a) Churchill, M. R.;DeBoer, B. G. Inorg. Chem. 1977, 16, 878.
36. (b) Forster, A.;Johnson, B. F. G.;Lewis, J.;Matheson, T. W.;Robinson, B. H ; Jackson, W. G. J. Chem. Soc., Chem. Commun. 1974, 1042.
37. (c) Hasselbrig, L.;Lamb, H., Dybowski, C.;Gates, B.;Rheingold, A. Inorg. Chim. Acta 1987, 127, L49.
38. eq (95.7° vs 97.9°) angles.
39. Evans, D. G. J. Chem. Soc., Chem. Commun. 1993, 675.
40. Braga, D.;Grepioni, F.;Tedesco, E.;Calhorda, M. J.;Lopes, P. E. M. J. Chem. Soc., Dalton Trans., in press.
41. (a) Benfield, R. E.;Braga, D.;Johnson, B. F. G. Polyhedron 1988, 7, 2549.
42. (b) Braga, D Chem. Rev. 1992, 92, 633.
43. Maverick, E.;Dunitz, J. D. Mol. Phys. 1987, 62, 451.
44. Pertsin, A. J.;Kitaigorodsky, A. I. The Atom-Atom Potential Method; Springer-Verlag: Berlin, 1987.
45. Braga, D.;Farrugia, L. A.;Grepioni, F.;Senior, A. J. Chem. Soc., Chem. Commun. in press.