The singlet-triplet separation in dichlorocarbene: A surprising difference between theory and experiment

Journal of Chemical Physics

Volumn 112, Issue 15, 2000, Pages 6515-6516

  Barden, Christopher J ^a   Schaefer III, Henry F ^a  

^a UNIVERSITY OF GEORGIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000444044     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.481601     Document Type: Article

References (22)

1. See, for example, K. M. Ervin and W. C. Lineberger, in Advances in Gas-phase Ion Chemistry, edited by N. G. Adams and L. M. Babcock (JAI, Greenwich, CT, 1992), Vol. 1, p. 121.
2. H. F. Schaefer, Science 231, 1100 (1986).
3. For an early example, see W. G. Richards, Nature (London) 278, 507 (1979).
4. R. L. Schwartz, G. E. Davico, T. M. Ramond, and W. C. Lineberger, J. Phys. Chem. A 103, 8213 (1999).
5. C. W. Bauschlicher, H. F. Schaefer, and P. S. Bagus. J. Am. Chem. Soc. 99, 7106 (1977).
6. T. Ha, H. U. Gremlich, and R. E. Bühler, Chem. Phys. Lett. 65, 16 (1979).
7. M. T. Nguyen, M. C. Kerins, A. F. Hegarty, and N. J. Fitzpatrick, Chem. Phys. Lett. 117, 295 (1985).
8. E. A. Carter and W. A. Goddard, J. Chem. Phys. 88, 1752 (1988).
9. S. K. Shin, W. A. Goddard, and J. L. Beauchamp. J. Phys. Chem. 94, 6963 (1990).
10. G. L. Gutsev and T. Ziegler, J. Phys. Chem. 95, 7220 (1991).
11. N. Russo, E. Sicilia, and M. Toscano, J. Chem. Phys. 97, 5031 (1992).
12. A. Gobbi and G. Frenking, J. Chem. Soc. Chem. Commun. 14, 1162 (1993).
13. V. M. Garcia, O. Castell, M. Reguero, and R. Caballol, Mol. Phys. 87, 1395 (1996).
14. K. Raghavachari, G. W. Trucks, J. A. Pople, and M. Head-Gordon, Chem. Phys. Lett. 157, 479 (1989).
15. For carbon, T. H. Dunning, J. Chem. Phys. 90, 1007 (1989).
16. For chlorine, D. E. Woon and T. H. Dunning, J. Chem. Phys. 98, 1358 (1993).
17. M. Fujitake and E. Hirota, J. Chem. Phys. 91, 3426 (1989).
18. D. J. Clouthier and J. Karolczak, J. Chem. Phys. 94, 1 (1991).
19. R A. Kendell, T. H. Dunning, and R. J. Harrison, J. Chem. Phys. 96, 6796 (1992).
20. T. H. Dunning, J. Chem. Phys. 103, 4572 (1995).
21. T. H. Dunning et al. (unpublished).
22. K. K. Murray, D. G. Leopold, T. M. Miller, and W. C. Lineberger, J. Chem. Phys. 89, 5442 (1988).