Theoretical study of the Jahn-Teller effect on the spectroscopy of VCl4

Chemical Physics Letters

Volumn 263, Issue 5, 1996, Pages 667-670

  Stavrev, Krassimir K ^a   Zerner, Michael C ^a  

^a UNIVERSITY OF FLORIDA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0030596228     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(96)01270-5     Document Type: Article

References (28)

1. [1] L.L. Lohr, Jr. and W.N. Lipscomb, Inorg. Chem. 2 (1965) 911.
2. [2] C.J. Ballhausen and J. De Heer, J. Chem. Phys. 43 (1966) 4304.
3. [3] Y. Morino and M. Uehara, J. Chem. Phys. 45 (1966) 4543.
4. [4] C.A. Coulson and B.M. Deb, Mol. Phys. 16 (1969) 545.
5. [5] C.A.L. Backer and J.P. Dahl, Theor. Chim. Acta 19 (1970) 135.
6. [6] D.A. Copeland and C.J. Ballhausen, Theor. Chim. Acta 20 (1971) 317.
7. [7] H.P. Lüthi and J. Almlöf, J. Chem. Phys. 87 (1987) 3702.
8. [8] D.R. Truax, J.A. Geer and T. Ziegler, Theor. Chim. Acta 33 (1974) 299.
9. [9] D.W. Pratt, Lawrence Radiation Laboratory Report UCRL-17406, Univ. of California, Berkeley, CA.
10. [10] R.B. Johannesen, G.A. CandelaandT. Tsang, J. Chem. Phys. 48 (1968) 5544.
11. [11] J.H. Ammeter, L. Zoller, J. Bachmann, P. Baltzer, E. Gamp, R. Bucherand E. Deiss, Helv. Chim. Acta 64 (1981) 1063.
12. [12] P.A. Cox, S. Evans, A. Hamnett and A.F. Orchard, Chem. Phys. Lett. 7 (1970) 414.
13. [13] K.K. Stavrev and M.C. Zerner J. Chem. Phys. 102 (1995) 34.
14. [14] F.A. Blankenship and R.L. Belford, J. Chem. Phys. 36 (1962) 633.
15. [15] K. Zhao and R. Pitzer, Proc. 36th Sanibel Symposium, St. Augustine, FL (1996).
16. [16] M.C. Zemer, ZINDO-95 program. Quantum Theory Project, University of Florida, Gainesville, FL.
17. [17] M.C. Zerner, G.H. Loew, R. Kirchner and U. Müller-Westerhoff, J. Am. Chem. Soc. 102 (1980) 589.
18. [18] J.E. Ridley and M.C. Zerner, Theor. Chim. Acta 32 (1973) 118.
19. [19] A.D. Bacon and M.C. Zerner, Theor. Chim. Acta 53 (1979) 21.
20. [20] K.K. Stavrev and M.C. Zerner, Chem. Phys. Lett. 233 (1995) 179.
21. [21] K.K. Stavrev, M.C. Zerner and T.J. Meyer, J. Am. Chem. Soc. 117 (1995) 8684.
22. [22] K.K. Stavrev and M.C. Zerner, Int. J. Quant. Chem.: Quant. Biol. Symp. 22 (1995) 155.
23. [23] R. Englman, The Jahn-Teller effect in molecules and crystals (Wiley/Interscience, New York, 1972).
24. [24] C.J. Ballhausen, Molecular electronic structures of transition metal complexes (McGraw-Hill, New York, 1979).
25. [25] A most recent overview on vibronic interactions in transition-metal systems is given by I. Bersuker, Electronic structure and properties of transition metal compounds (Wiley/Interscience, New York, 1996).
26. [26] I. Bersuker and V. Polinger, Vibronic interactions in molecules and crystals (Springer, Heidelberg, 1989).
27. [27] I. Bersuker, The Jahn-Teller effect and vibronic interactions in modern chemistry (Plenum, New York, 1984).
28. [28] J. McKelvey, G. Pearl and M.C. Zerner, work in progress. The bond indices indicate directly that the distortion is along the e-mode.