The Co + CO reaction: Infrared matrix isolation study and density functional calculations

Journal of Physical Chemistry A

Volumn 105, Issue 50, 2001, Pages 11388-11394

  Tremblay, Benoît ^a   Alikhani, Mohammad Esmaïl ^a   Manceron, Laurent ^a  

^a SORBONNE UNIVERSITÉ   (France)

Author keywords

[No Author keywords available]

Indexed keywords

INFRARED MATRIX ISOLATION;

ACTIVATION ENERGY; CARBON MONOXIDE; CHEMICAL BONDS; COBALT COMPOUNDS; COMPLEXATION; GROUND STATE; IRRADIATION; MOLECULAR VIBRATIONS; PROBABILITY DENSITY FUNCTION; VAN DER WAALS FORCES;

MOLECULAR DYNAMICS;

EID: 0035923956     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp012422g     Document Type: Article

References (25)

1. Hanlan, L. A.; Huber, H.; Kündig, E. P.; McGarvey, B. R.;. Ozin, G. A. J. Am. Chem. Soc. 1975, 97, 7054.
2. Zhou, M.; Andrews, L. J. Phys. Chem. A 1998, 102, 10250.
3. Zhou, M.; Andrews, L. J. Phys. Chem. A 1999, 103, 7773.
4. Joly, H. A.; Manceron, L. Chem. Phys. 1998, 226, 61.
5. Tremblay, B.; Manceron, L. Chem. Phys. 1999, 242, 235.
6. Fournier, R. J. Chem. Phys.1993, 99, 1801.
7. Adamo, C.; Lelj, F. J. Chem. Phys. 1995, 103, 10605.
8. Ryeng, H.; Gropen, O.; Swang, O. J. Phys. Chem. A 1997, 101, 8956.
9. Sugar, J.; Corliss, C. J. Phys. Chem. Ref. Data Suppl. No. 2 1985.
10. Bishop, D. M.; Cheung, L. M. J. Phys. Chem. Ref. Data 1982, 11, 121.
11. 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.; Menniccu, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuk, 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.9; Gaussian, Inc.: Pittsburgh, PA, 1998.
12. Becke, A. D. Phys. Rev. A 1988, 38, 3098.
13. Perdew, J. P.; Wang, Y. Phys. Rev. B 1992, 45, 13244.
14. McLean, A. D.; Chandler, G. S. J. Chem. Phys. 1980, 72, 5639.
15. Krishnan, R.; Binkley, J. S.; Seeger, R.; Pople, J. A. J. Chem. Phys. 1980, 72, 650.
16. Shaefer, A.; Huber, C.; Ahlrichs, R. J. Chem. Phys. 1994, 100, 5829.
17. Wilson, E. B., Jr.; Decius, J. C.; Cross, P. C. Molecular Vibrations; Mc-Graw-Hill: New York, 1955; Dover Publications: New York, 1980; pp 303-306.
18. Manceron, L.; Tremblay, B.; Alikhani, M. E. J. Phys. Chem. A 2000, 104, 3750.
19. Tremblay, B.; Manceron, L. Chem. Phys. 1999, 250, 187.
20. Lahtinen, J.; Vaari, J.; Kauraala, K.; Soares, E. A.; Van Hove, M. A. Surf. Sci. 2000, 448, 269.
21. Toomes, R. L.; King, D. A. Surf. Sci. 1996, 349, 1.
22. Geerlings, J. J. C.; Zonnevylle, M. C.; de Groot, C. P. M. Surf. Sci. 1991, 247, 315.
23. Jacox, M. E. Chem. Phys. 1994, 189, 149.
24. Tanaka, K.; Tachikawa, Y.; Tanaka, T. J. Chem. Phys. 1997, 106, 2118.
25. Zhou, M. F.; Chertihin, G. V.; Andrews, L. J. Chem. Phys. 1998, 109, 10893.