The rotational spectrum and theoretical study of a dinuclear complex, MnRe(CO) 10

Journal of Chemical Physics

Volumn 120, Issue 10, 2004, Pages 4715-4725

  Tanjaroon, Chakree ^a   Keck, Kristen S ^a   Kukolich, Stephen G ^a   Palmer, Michael H ^b   Guest, Martyn F ^c  

^a University of Arizona   (United States)

^b UNIVERSITY OF EDINBURGH   (United Kingdom)

^c DARESBURY LABORATORY   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

DINUCLEAR COMPLEXES; ROTATIONAL TRANSITIONS;

CATALYSTS; CHEMICAL BONDS; MICROWAVES; PROBABILITY DENSITY FUNCTION; TRANSITION METALS; X RAY CRYSTALLOGRAPHY; X RAY DIFFRACTION ANALYSIS;

MANGANESE COMPOUNDS;

EID: 1842583441     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1637589     Document Type: Article

References (73)

1. T. E. Concolino and J. L. Eglin, J. Cluster Sci. 8(4), 461 (1997).
2. P. Kopf-Maier and H. Kopf, Metal Compounds Cancer Therapy 109, 46 (1994).
3. F. O'Reilly, J. Kelly, and A. Kirsch-De Mesmaeker, Chem. Commun. (Cambridge) 9, 1013 (1996).
4. C. Liu, R. Yan, Y. Xu, S. Yu. Z. Lio, D. F. Li, and H.-B. F. Xu, in Proceedings of SPIE-The International Society for Optical Engineering (2001), 4414 (International Conference on Sensor Technology [ISTC(2001), 2001], pp. 43-46.
5. S. P. Kaiwar, M. S. S. Raghavan, and C. P. Rao, J. Chem. Soc. Dalton Trans: Inorganic chemistry 10, 1569 (1995).
6. C. P. Casey, R. S. Carino, H. Sakaba, and R. K. Hayashi, Organometallics 15, 2640 (1996).
7. D. Bruce and D. O'Hare, Inorganic Materials (Wiley, New York, 1992).
8. L. S. Hegedus, Transition Metals in the Synthesis of Complex Organic Molecules (University Science, 1994).
9. M. P. Doyle and D. C. Forbes, Chem. Rev. 98, 911 (1998).
10. T. J. Colacot, Proceedings of Indian Acad. Sci. (Chem. Sci.). Vol. 112, No. 3, pp. 197-207 (June 2000).
11. W. L. Gladfelter and G. L. Geoffrey, Adv. Organomet. Chem. 18, 207 (1980).
12. D. A. Roberts and G. L. Geoffrey, in Comprehensive Organometalic Chem., edited by G. Wilkinson, E. W. Abel, and F. G. A. Stone (Pergamon, Oxford, 1982), Vol. 6, p. 763.
13. E. L. Meutterties, Science 196, 839 (1997).
14. N. J. Coville and A. E. Leins, J. Cluster Sci. 4(3), 185 (1993).
15. R. R. Andrea, A. Terpstra, D. J. Stufkens, and A. Oskram, Inorg. Chim. Acta 96, L57 (1984).
16. M. B. Hall, J. Am. Chem. Soc. 97, 2057 (1975).
17. J. Lewis and B. F. G. Johnson, Acc. Chem. Res. 8, 245 (1968).
18. G. A. Junk and H. J. Svec, J. Chem. Soc. A: Inorganic, Physical, Theoretical 12, 2102 (1970).
19. W. K. Meckstroth and D. P. Ridge, J. Am. Chem. Soc. 107, 2281 (1985).
20. G. Sbrignadello, G. Battistion, and G. Bor, Inorg. Chim. Acta 14, 69 (1975).
21. G. O. Evans, W. T. Wozniak, and R. K. Sheline, Inorg. Chem. 25, 3608 (1970).
22. T. L. Brown and S. Zhang, Inorg. Chem. 34, 1164 (1995).
23. F. A. Cotton, P. E. Fanwick, R. H. Niswander, and J. Sekutowski, J. Am. Chem. Soc. 100, 4725 (1978).
24. F. A. Cotton and T. Ren, J. Am. Chem. Soc. 114, 2237 (1992).
25. Y. T. Struchkov, K. N. Anisimov, O. P. Osipova, N. E. Kalobava, and A. N. Nesmeyanov, Dokl. Akad. Nauk SSSR, Ser. A 172, 107 (1967).
26. A. L. Rheingold, W. K. Meckstroth, and D. P. Ridge, Inorg. Chem. 25, 3706 (1986).
27. M. R. Churchill and R. Bau, Inorg. Chem. 6, 2086 (1967).
28. C. P. Casey, C. R. Cyr, R. L. Anderson, and D. F. Marten, J. Am. Chem. Soc. 97, 3053 (1975).
29. O. Orama, U. Schubert, F. R. Kreissl, and E. O. Fischer, Z. Naturforsch. B 35, 82 (1980).
30. H.-J. Freud, B. Dick, and G. Hohlneicher, Theor. Chim. Acta 57, 185 (1980).
31. T. A. Barckholtz and B. E. Bursten, J. Organomet. Chem. 596, 212 (2000).
32. E. Folga and T. Ziegler, J. Am. Chem. Soc. 115, 5169 (1993).
33. T. A. Barckholtz and B. E. Bursten, J. Am. Chem. Soc. 120, 1926 (1998).
34. N. Flitcroft, D. K. Huggins, and H. D. Kaesz, Inorg. Chem. 8, 1123 (1964).
35. S. P. Schmidt, F. Basolo, C. M. Jensen, and W. C. Trogler, J. Am. Chem. Soc. 108, 1894 (1986).
36. S. P. Schmidt, W. C. Trogler, and F. Basolo, Inorg. Synth. 28, 160 (1990).
37. J. E. Ellis and E. A. Flom, J. Organomet. Chem. 99, 263 (1975).
38. T. J. Balle and W. H. Flygare, Rev. Sci. Instrum. 52, 33 (1981).
39. R. E. Bumgarner, C. D. Cogley, and S. G. Kukolich, Chem. Phys. Lett. 122, 535 (1985); R. E. Bumgarner and S. G. Kukolich, J. Chem. Phys. 86, 1083 (1987).
40. R. E. Bumgarner, C. D. Cogley, and S. G. Kukolich, Chem. Phys. Lett. 122, 535 (1985); R. E. Bumgarner and S. G. Kukolich, J. Chem. Phys. 86, 1083 (1987).
41. S. G. Kukolich and S. M. Sickafoose, Chem. Phys. Lett. 215, 168 (1993).
42. S. G. Kukolich and S. M. Sickafoose, J. Chem. Phys. 99, 6465 (1993).
43. M. H. Palmer, Z. Naturforsch., A: Phys. Sci. 53, 370 (1998).
44. M. H. Palmer, Z. Naturforsch., A: Phys. Sci. 53, 383 (1998).
45. T. H. Dunning, J. Chem. Phys. 53, 2823 (1970).
46. T. H. Dunning, J. Chem. Phys. 55, 716 (1971).
47. T. H. Dunning, J. Chem. Phys. 90, 1007 (1989).
48. S. Huzinaga, J. Chem. Phys. 66, 4245 (1977).
49. P. J. Hay and W. R. Wadt, J. Chem. Phys. 82, 270 (1985).
50. P. J. Hay and W. R. Wadt, J. Chem. Phys. 82, 299 (1985).
51. W. R. Wadt and P. J. Hay, J. Chem. Phys. 82, 284 (1985).
52. M. Dolg, H. Stoll, A. Savin, and H. Preuss, Theor. Chim. Acta 75(3), 173 (1989).
53. D. Andrae, U. Haussermann, M. Dolg, H. Stoll, and H. Preuss, Theor. Chim. Acta 78, 247 (1991).
54. J. Andzelm, M. Klobukowski, E. Radzio-Andzelm, Y. Saski, and H. Tatewaki, Gaussian Basis Sets for Molecular Calculations, edited by S. Huzinaga (Elsevier, Amsterdam, 1984).
55. R. Poirier, R. Kari, and I. G. Csizmadia, Handbook of Gaussian Basis Sets (Elsevier Science, New York, 1985).
56. E. Clementi, S. J. Chakravorty, G. Corongiu, and V. Sonnad, in MOTECC-90 Modern Techniques in Computational Chemistry, edited by E. Clementi (Escom, Leiden, 1990), pp. 47-140.
57. S. Huzinaga and M. Klobukowski, J. Mol. Struct. 167, 1 (1988).
58. GAMESS-UK (V6.3): M. Dupuis, D. Spangler, and J. Wendoloski, NRCC Software Catalog, Vol. 1, Program No. QG01 (GAMESS), 1980.
59. M. F. Guest, J. Kendrick, J. H. van Lenthe, K. Schoeffel, and P. Sherwood "GAMESS-UK: Users Guide and Reference Manual," Version 5, Computing for Science (CFS) Ltd., Daresbury Laboratory, December 1994.
60. V. Jonas and W. Thiel, J. Chem. Phys. 105, 3636 (1996).
61. M. R. J. Hachey and C. Daniel, Inorg. Chem. 37, 1387 (1998).
62. E. A. McNeill and F. R. Scholer, J. Am. Chem. Soc. 99, 6243 (1977).
63. D. Frigyes and G. Fogarasi, Organometallics 18, 5245 (1999).
64. J. Bossert, N. Ben Amor, A. Strich, and C. Daniel, Chem. Phys. Lett. 342, 617 (2001).
65. A. D. Becke, Phys. Rev. A 38, 3098 (1988).
66. J. P. Perdew, Phys. Rev. B 33, 8822 (1986).
67. A. D. Becke, J. Chem. Phys. 98, 5648 (1993).
68. P. Pyykkö, Mol. Phys. 99, 1617 (2001).
69. P. Raghaven, Atomic and Nuclear Data Tables (Academic, New York, 1989), 42, 189.
70. H. M. Pickett, J. Mol. Spectrosc. 148, 371 (1997); see also: http://spec.jpl.nasa.gov/ftp/pub/calpgm
71. B. J. Drouin, P. A. Cassak, and S. G. Kukolich, J. Chem. Phys. 108, 8878 (1998).
72. W. Gordy and R. L. Cook, Microwave Molecular Spectra, Vol. IX, Chemical Applications of Spectroscopy (Wiley, New York, 1968, 1970).
73. F. A. Cotton and D. C. Richarson, Inorg. Chem. 5, 1851 (1966).