Reactions of group 3 transition metal atoms with CS 2 and OCS: Matrix isolation infrared spectra and density-functional calculations of SMCS, SM-(η 2-CS), SMCO, and SM-(η 2-CO) in solid argon

Journal of Physical Chemistry A

Volumn 110, Issue 35, 2006, Pages 10419-10426

  Baker, Alexander B ^a   Andrews, Lester ^a  

^a UNIVERSITY OF VIRGINIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ISOTOPIC SUBSTITUTIONS; MATRIX ISOLATION; STRUCTURAL ISOMERS;

DEPOSITION; INFRARED SPECTROSCOPY; PHOTOLYSIS; PROBABILITY DENSITY FUNCTION; REACTION KINETICS; SUBSTITUTION REACTIONS;

TRANSITION METALS;

ARGON; CARBON DISULFIDE; CARBONYL SULFIDE; LANTHANUM; SCANDIUM; SULFUR OXIDE; TRANSITION ELEMENT;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; INFRARED SPECTROPHOTOMETRY; METHODOLOGY; PHOTOCHEMISTRY; SENSITIVITY AND SPECIFICITY; STEREOISOMERISM; TEMPERATURE;

ARGON; CARBON DISULFIDE; LANTHANUM; MODELS, CHEMICAL; PHOTOCHEMISTRY; SCANDIUM; SENSITIVITY AND SPECIFICITY; SPECTROPHOTOMETRY, INFRARED; STEREOISOMERISM; SULFUR OXIDES; TEMPERATURE; TRANSITION ELEMENTS;

EID: 33748779523     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp063090o     Document Type: Article

References (49)

1. Pandey, K. K. Coord. Chem. Rev. 1995, 140, 37.
2. Peters, J. W. Science 2002, 298, 552.
3. Compton, R. N.; Reinhardt, P. W.; Coper, C. D. J. Chem. Phys. 1975, 63, 3821.
4. Caballol, R.; Sanchez Marcos, E.; Barthelat, J. C. J. Phys. Chem. 1987, 91, 1328.
5. Jeung, G. H. Mol. Phys. 1989, 67, 747.
6. Lessen, D. E.; Asher, R. L.; Brucat, P. J. J. Chem. Phys. 1991, 95, 1414.
7. Schwarz, J.; Schwarz, H. Organometallics 1994, 13, 1518.
8. Asher, R. L.; Bellert, D.; Buthelezi, T.; Weerasekera, G.; Brucat, P. J. Chem. Phys. Lett. 1994, 228, 390.
9. Sodupe, M.; Branchadell, V.; Oliva, A. J. Phys. Chem. 1995, 99, 8567.
10. Galan, F.; Fouassier, M.; Tranquille, M.; Mascetti, J.; Papai, I. J. Phys. Chem. A 1997, 101, 2626.
11. Papai, I.; Mascetti, J.; Fournier, R. J. Phys. Chem. A 1997, 101, 4465.
12. Fan, H. J.; Liu, C. W. Chem. Phys. Lett. 1999, 300, 351.
13. Xu, Q.; Jiang, L. J. Phys. Chem. A 2006, 110, 2655.
14. Sievers, M. R.; Armentrout, P. B. J. Chem. Phys. 1995, 102, 754.
15. Papai, I. Book of Abstracts; 213th ACS National Meeting, San Francisco, CA, April 13-17, 1997; COMP.
16. Zhou, M.; Andrews, L. J. Phys. Chem. A 1999, 103, 2066.
17. Zhou, M.; Andrews, L. J. Am. Chem. Soc. 1998, 120, 13230.
18. Zhou, M.; Liang, B.; Andrews, L. J. Phys. Chem. A 1999, 103, 2013.
19. Walker, N. R.; Walters, R. S.; Grieves, G. A.; Duncan, M. A. J. Chem. Phys. 2004, 121, 10498.
20. Zhang, X. G.; Armentrout, P. B. J. Phys. Chem. A 2003, 107, 8904.
21. Li, T.; Xie, X.; Gao, S.; Wang, C.; Cheng, W.; Pan, X.; Cao, H. THEOCHEM 2005, 724, 125.
22. Gao, L.-G.; Wang, Y.-C.; Geng, Z.-Y.; Chen, X.-X.; Lu, L.-L.; Dai, G.-L.; Wang, D.-M. Wuli Huaxue Xuebao 2005, 21, 1102.
23. Dobrogorskaya, Y.; Mascetti, J.; Papai, I.; Nemukhin, A.; Hannachi, Y. J. Phys. Chem. A 2003, 107, 2711.
24. Huber, H.; Ozin, G. A.; Power, W. J. Inorg. Chem. 1977, 16, 2234.
25. Rue, C.; Armentrout, P. B.; Kretzschmar, I.; Schroder, D.; Harvey, J. N.; Schwarz, H. J. Chem. Phys. 1999, 110, 7858.
26. Zhou, M. F.; Andrews, L. J. Phys. Chem. A 2000, 104, 4394.
27. Rue, C.; Armentrout, P. B.; Kretzschmar, I.; Schroder, D.; Schwarz, H. Int. J. Mass Spectrosc. 2001, 270/211, 283.
28. Rue, C.; Armentrout, P. B.; Kretzschmar, I.; Schroeder, D.; Schwarz, H. J. Phys. Chem. A 2001, 105, 8456.
29. Rue, C.; Armentrout, P. B.; Kretzschmar, I.; Schroeder, D.; Schwarz, H. J. Phys. Chem. A 2002, 106, 9788.
30. Jiang, N.; Zhang, D. Chem. Phys. Lett. 2002, 366, 253.
31. Cheng, P.; Koyanagi, G. K.; Bohme, D. K. J. Phys. Chem. A 2006, 110, 2718.
32. Kretzschmar, I.; Schroder, D.; Schwarz, H.; Armentrout, P. B. Int. J. Mass Spectrosc. 2006, 249, 263.
33. Hassanzadeh, P.; Andrews, L. J. Phys. Chem. 1992, 96, 6579.
34. Brabson, G. D.; Mielke, Z.; Andrews, L. J. Phys. Chem. 1991, 95, 79.
35. Burkholder, T. R.; Andrews, L. J. Chem. Phys. 1991, 95, 8697.
36. Hassanzadeh, P.; Andrews, L. J. Phys. Chem. 1992, 96, 9177.
37. Zhou, M.; Andrews, L. J. Chem. Phys. 1999, 110, 10370.
38. 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.; Rega, N.; Salvador, P.; Dannenberg, J. J.; D. K. Malick; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Baboul, A. G.; 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.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Andres, J. L.; Gonzalez, C.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98, revision A.11.4; Gaussian, Inc.: Pittsburgh, PA, 2002.
39. Becke, A. D. J. Chem. Phys. 1993, 98, 5648.
40. Lee, C. T.; Yang, W. T.; Parr, R. G. Phys. Rev. B 1988, 37, 785.
41. Becke, A. D. Phys. Rev. A 1988, 38, 3098.
42. Perdew, J. P.; Wang, Y. Phys. Rev. B 1992, 45, 13244.
43. Krishnan, F.; Binkley, J. S.; Seeger, R.; Pople, J. A. J. Chem. Phys. 1980, 72, 650.
44. Frisch, M. J.; Pople, J. A.; Binkley, J. S. J. Chem. Phys. 1984, 80, 3265.
45. Andrae, D.; Haussermann, U.; Dolg, M.; Stoll, H.; Preuss, H. Theor. Chim. Acta 1990, 77, 123.
46. Zhou, M.; Andrews, L. J. Chem. Phys. 2000, 112, 6576.
47. Chertihin, G. V.; Andrews, L.; Rosi, M.; Bauschlicher, C. W. J. Phys. Chem. A 1997, 101, 9085.
48. Andrews, L.; Zhou, M. F.; Chertihin, G. V.; Bauschlicher, C. W. J. Phys. Chem. A 1999, 103, 6525.
49. Papai, I.; Hannachi, Y.; Gwizdala, S.; Mascetti, J. J. Phys. Chem. A 2002, 106, 4181.