Infrared spectra and density functional theory calculations of group 6 transition metal sulfides in solid argon

Journal of Physical Chemistry A

Volumn 106, Issue 30, 2002, Pages 6945-6951

  Liang, Binyong ^a   Andrews, Lester ^a  

^a UNIVERSITY OF VIRGINIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ISOTOPIC SUBSTITUTION;

CONDENSATION REACTIONS; INFRARED SPECTROSCOPY; ISOTOPES; MOLECULES; PROBABILITY DENSITY FUNCTION; SUBSTITUTION REACTIONS; SULFUR COMPOUNDS;

TRANSITION METAL COMPOUNDS;

EID: 0036703825     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp025915+     Document Type: Article

References (50)

1. Stiefel, E.I., Matsumoto, K., Eds. Transition Metal Sulfur Chemistry, Biological and Industrial Significance; American Chemical Society: Washington, DC, 1997.
2. Weber, T., Prins, R., van Santen, R.A., Eds. Transition Metal Sulphides, Chemistry and Catalysis; NATO ASI Series; Kluwer Academic Publishers: Dordrecht, Netherlands, 1998.
3. Stiefel, E.I. Pure Appl. Chem. 1998, 70, 889.
4. Heising, J.; Kanatzidis, M.G. J. Am. Chem. Soc. 1999, 121, 638.
5. Heising, J.; Kanatzidis, M.G. J. Am. Chem. Soc. 1999, 121, 11720.
6. Wu, L.M.; Zhang, Y.F.; Hu, J.M.; Zhou, L.X.; Li, J.Q. J. Mol. Struct. (THEOCHEM) 1999, 460, 27.
7. Zakharov, I.I.; Startsev, A.N. J. Phys. Chem. B 2000, 104, 9025.
8. Bezverkhy, I.; Afanasiev, P.; Lacroix, M. Inorg. Chem. 2000, 39, 5416.
9. Chhowalla, M.; Amaratunga, G.A. J. Nature, 2000, 407, 164.
10. Remskar, M.; Mrzel, A.; Skraba, Z.; Jesih, A.; Ceh, M.; Demšar, J.; Stadelmann, P.; Lévy, F.; Mihailovic, D. Science, 2001, 292, 479.
11. Nath, M.; Mukhopadhyay, K.; Rao, C.N.R. Chem. Phys. Lett. 2002, 352, 163.
12. Jonsson, J.; Launila, O.; Lindgren, B. Mon. Not. R. Astron. Soc. 1992, 258, 49.
13. Lambert, D.L.; Clegg, R.E.S. Mon. Not. R. Astron. Soc. 1980, 191, 367.
14. Monjazeb, A.; Mohan, H. Spectrosc. Lett. 1973, 6, 143.
15. DeVore, T.C.; Franzen, H.F. High Temp. Sci. 1975, 7, 220.
16. Shi, Q.; Ran, Q.; Tam, W.S.; Leung, J.W.-H.; Cheung, A.S.-C. Chem. Phys. Lett. 2001, 339, 154.
17. Bauschlicher, C.W., Jr.; Maitre, P. Theor. Chim. Acta 1995, 90, 189.
18. Rue, C.; Armentrout, P.B.; Kretzschmar, I.; Schroder, D.; Schwarz, H. Int. J. Mass Spectrom. 2001, 210/211, 283.
19. Brabson, G.D.; Mielke, Z.; Andrews, L. J. Phys. Chem. 1991, 95, 79.
20. Long, S.R.; Pimentel, G.C. J. Chem. Phys. 1977, 66, 2219.
21. Smardzewski, R.R. J. Chem. Phys. 1978, 68, 2878.
22. Burkholder, T.R.; Andrews, L. J. Chem. Phys. 1991, 95, 8697.
23. Hassanzadeh, P.; Andrews, L. J. Phys. Chem. 1992, 96, 9177.
24. Frisch, M.J.; Trucks, G.W.; Schlegel, H.B.; Scuseria, G.E.; Robb, M.A.; Cheeseman, J.R.; Zakrzewski, V.G.; Montgomery, J.A., Jr.; Stratmann, R.E.; Burant, J.C.; Dapprich, S.; Millam, J.M.; Daniels, A.D.; Kudin, K.N.; Strain, M.C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G.A.; Ayala, P.Y.; Cui, Q.; Morokuma, K.; Malick, D.K.; Rabuck, A.D.; Raghavachari, K.; Foresman, J.B.; Cioslowski, J.; Ortiz, J.V.; Stefanov, B.B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R.L.; Fox, D.J.; Keith, T.; Al-Laham, M.A.; Peng, C.Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P.M.W.; Johnson, B.G.; Chen, W.; Wong, M.W.; Andres, J.L.; Head-Gordon, M.; Replogle, E.S.; Pople, J.A. Gaussian 98, revision A.1; Gaussian, Inc.: Pittsburgh, PA, 1998.
25. Lee, C.; Yang, E.; Parr, R.G. Phys. Rev. B 1988, 37, 785.
26. Perdew, J.P.; Wang, Y. Phys. Rev. B 1992, 45, 13244.
27. McLean, A.D.; Chandler, G.S. J. Chem. Phys. 1980, 72, 5639. Wachters, A.J.H. J. Chem. Phys. 1970, 52, 1033. Hay, P.J. J. Chem. Phys. 1977, 66, 4377. Raghavachari, K.; Trucks, G.W. J. Chem. Phys. 1989, 91, 1062.
28. McLean, A.D.; Chandler, G.S. J. Chem. Phys. 1980, 72, 5639. Wachters, A.J.H. J. Chem. Phys. 1970, 52, 1033. Hay, P.J. J. Chem. Phys. 1977, 66, 4377. Raghavachari, K.; Trucks, G.W. J. Chem. Phys. 1989, 91, 1062.
29. McLean, A.D.; Chandler, G.S. J. Chem. Phys. 1980, 72, 5639. Wachters, A.J.H. J. Chem. Phys. 1970, 52, 1033. Hay, P.J. J. Chem. Phys. 1977, 66, 4377. Raghavachari, K.; Trucks, G.W. J. Chem. Phys. 1989, 91, 1062.
30. McLean, A.D.; Chandler, G.S. J. Chem. Phys. 1980, 72, 5639. Wachters, A.J.H. J. Chem. Phys. 1970, 52, 1033. Hay, P.J. J. Chem. Phys. 1977, 66, 4377. Raghavachari, K.; Trucks, G.W. J. Chem. Phys. 1989, 91, 1062.
31. Hay, P.J.; Wadt, W.R. J. Chem. Phys. 1985, 82, 270. Wadt, W.R.; Hay, P.J. J. Chem. Phys. 1985, 82, 284. Hay, P.J.; Wadt, W.R. J. Chem. Phys. 1985, 82, 299.
32. Hay, P.J.; Wadt, W.R. J. Chem. Phys. 1985, 82, 270. Wadt, W.R.; Hay, P.J. J. Chem. Phys. 1985, 82, 284. Hay, P.J.; Wadt, W.R. J. Chem. Phys. 1985, 82, 299.
33. Hay, P.J.; Wadt, W.R. J. Chem. Phys. 1985, 82, 270. Wadt, W.R.; Hay, P.J. J. Chem. Phys. 1985, 82, 284. Hay, P.J.; Wadt, W.R. J. Chem. Phys. 1985, 82, 299.
34. Moore, C.E. Atomic Energy Levels; National Bureau of Standards (U.S.) Circular 467; National Bureau of Standards: Washington, DC, 1958.
35. Pyykkö, P. Chem. Rev. 1988, 88, 563.
36. 2).
37. 6).
38. CRC Handbook of Chemistry and Physics; CRC Press: Boca Raton, FL, 1985.
39. Allavena, M.; Rysnik, R.; White, D.; Calder, V.; Mann, D.E. J. Chem. Phys. 1969, 50, 3399.
40. Andrews, L. J. Electron Spectrosc. Relat. Phenom. 1998, 97, 63.
41. Wang, J.; Becke, A.D.; Smith, V.H., Jr. J. Chem. Phys. 1995, 102, 3477.
42. Pople, J.A.; Gill, P.M.W.; Handy, N.C. Int. J. Quantum Chem. 1995, 56, 03.
43. Grafenstein, J.; Cremer, D. Mol. Phys. 2001, 99, 981.
44. Darling, J.H.; Ogden, J.S. J. Chem. Soc., Dalton Trans. 1972, 2496.
45. Liang, B.; Andrews, L. J. Phys. Chem. A 2002, 106, 3738; J. Phys. Chem. A 2002, 106, 6295.
46. Liang, B.; Andrews, L. J. Phys. Chem. A 2002, 106, 3738; J. Phys. Chem. A 2002, 106, 6295.
47. Huber, K.P.; Herzberg, G. Constants of Diatomic Molecules; Van Nostrand Reinhold: New York, 1979.
48. Kang, H.; Beauchamp, J.L. J. Phys. Chem. 1985, 89, 3364.
49. Chertihin, G.V.; Bare, W.D.; Andrews, L. J. Chem. Phys. 1997, 107, 2798.
50. Bare, W.D.; Souter, P.F.; Andrews, L. J. Phys. Chem. A 1998, 102, 8279.