The highly unsaturated binuclear chromium carbonyl Cr 2(CO) 8

Journal of Physical Chemistry A

Volumn 108, Issue 33, 2004, Pages 6879-6885

  Li, Se ^a   King, R Bruce ^a   Schaefer III, Henry F ^a  

^a UNIVERSITY OF GEORGIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DISSOCIATION ENERGIES; MONONUCLEAR FRAGMENTS; SELF-CONSISTENT FIELD (SCF); VIBRATIONAL FREQUENCIES;

CARBONYLATION; COMPUTATIONAL METHODS; CORRELATION METHODS; DERIVATIVES; DISSOCIATION; INTEGRAL EQUATIONS; OPTIMIZATION; POLARIZATION; PROBABILITY DENSITY FUNCTION; THERMODYNAMICS;

CHROMIUM COMPOUNDS;

EID: 4344667530     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp040134p     Document Type: Article

References (26)

1. Kenny, J.; King, R. B.; Schaefer, H. F. Inorg. Chem. 2001, 40, 900.
2. Xie, Y.; King, R. B.; Schaefer, H. F. J. Am. Chem. Soc. 2000, 122, 8746.
3. Xie, Y.; Jang, J. H.; King, R. B.; Schaefer, H. F. Inorg. Chem. 2003, 42, 5219.
4. Green, M. L. H. J. Organomet. Chem. 1995, 500, 127.
5. The required monograph on metal-metal multiple bonds is Cotton, F. A.; Walton, R. A. Multiple Bonds between Metal Atoms, 2nd ed.; Clarendon Press: Oxford, U.K., 1993.
6. Richardson, N. A.; Xie, Y.; King, R. B.; Schaefer, H. F. J. Phys. Chem. A 2001, 105, 11134.
7. Li, S.; Richardson, N. A.; Xie, Y.; King, R. B.; Schaefer, H. F. Faraday Discuss 2003, 124, 315.
8. Li, S.; Richardson, N. A.; King, R. B.; Schaefer, H. F. J. Phys. Chem. A 2003, 107, 10118.
9. Cotton, F. A.; DeBoer B. G.; LaPrade, M. D.; Pipal, J. R.; Ucko, D. A. J. Am. Chem. Soc. 1970, 92, 2926.
10. Krausse, J.; Marx, G.; Schodl, G. J. Organomet. Chem. 1970, 21, 159.
11. Aoki, T.; Furusaki, A.; Tomiie, Y.; Ono, K.; Tanaka, K. Bull. Chem. Soc. Jpn. 1969, 42, 545.
12. Cotton, F. A.; Koch, S.; Millar, M. J. Am. Chem. Soc. 1977, 99, 7372.
13. Cotton, F. A.; Koch, S. A.; Millar, M. Inorg. Chem. 1978, 17, 2087.
14. Dunning, T. H. J. Chem. Phys. 1970, 53, 2823.
15. Huzinaga, S. J. Chem. Phys. 1965, 42, 1293.
16. Wachters, A. J. H. J. Chem. Phys. 1970, 52, 1033.
17. Hood, D. M.; Pitzer, R. M.; Schaefer, H. F. J. Chem. Phys. 1979, 71, 705.
18. Ziegler, T. Can. J. Chem. 1995, 73, 743.
19. Becke, A. D. J. Chem. Phys. 1993, 98, 5648.
20. Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785.
21. Jonas, V.; Thiel, W. Organometallics 1998, 17, 353.
22. Becke, A. D. Phys. Rev. A 1988, 38, 3098.
23. Perdew, J. P. Phys. Rev. B 1986, 33, 8822; 34, 7046.
24. Perdew, J. P. Phys. Rev. B 1986, 33, 8822; 34, 7046.
25. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T. A.; Petersson, G. A.; Montgomery, J. A.; Raghavachari, K.; Al-Laham, M. A.; Zakrzewski, V. G.; Ortiz, J. V.; Foresman, J. B.; Cioslowski, J.; Stefanov, B. B.; Nanayakkara, A.; Challacombe, M.; Peng, C. Y.; Ayala, P. Y.; Chen, W.; Wong, M. W.; Andres, J. L.; Replogle, E. S.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Binkley, J. S.; Defrees, J. D.; Baker, J.; Stewart, J. P.; Head-Gordon, M.; Gonzalez, C.; Pople, J. A. Gaussian 94, revision B.3; Gaussian, Inc: Pittsburgh PA, 1995.
26. Barckholtz, T. A.; Bursten, B. E. J. Am. Chem. Soc. 1998, 120, 1926.