Pseudo jahn-teller origin of bending distortions in renner-teller molecules and its spectroscopic implications

International Journal of Quantum Chemistry

Volumn 112, Issue 18, 2012, Pages 3025-3032

  Garcia Fernandez, Pablo ^a   Bersuker, Isaac B ^b  

^a UNIVERSITY OF CANTABRIA   (Spain)

^b UNIVERSITY OF TEXAS AT AUSTIN   (United States)

Author keywords

pseudo Jahn Teller effect; Renner Teller effect; spectroscopy

Indexed keywords

AB INITIO CALCULATIONS; BENDING DISTORTION; BENDING INSTABILITY; DEGENERATE STATE; DRIVING FORCES; JAHN-TELLER; LINE INTENSITIES; LINEAR MOLECULES; RENNER-TELLER EFFECT; ROTATIONAL LEVELS; SELECTION RULES;

JAHN-TELLER EFFECT; SPECTROSCOPY;

MOLECULES;

EID: 84864475633     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.24204     Document Type: Article

References (30)

1. S. -G. He, F. X. Sunahori, D. J. Clouthier, J. Am. Chem. Soc. 2005, 127, 10814.
2. X. -M. Song, T. A. Cool, J. Chem. Phys. 1992, 96, 8664.
3. P. S. H. Bolman, J. M. Brown, Chem. Phys. Lett. 1973, 21, 213.
4. A. Chablo, J. Mol. Struct. (Theochem) 1993, 283, 135.
5. L. A. Curtiss, D. L. Drapcho, J. A. Pople, Chem. Phys. Lett. 1984, 103, 437.
6. R. Tarroni, A. Mitrushenkov, P. Palmieri, S. Carter, J. Chem. Phys. 115, 11200.
7. H. Köppel, W. Domcke, L. S. Cederbaum, Adv. Chem. Phys. 1986, 67, 59.
8. J. M. Brown, In Computational Molecular Spectroscopy;, P. Jensen, R. J. Bunker, Ed.; Wiley: New York, 2000.
9. M. Peric, E. Engles, S. D. Peyerimhoff, In Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy;, S. R. Langhoff, Ed.; Kluwer: Dordrecht, 1995.
10. E. F. Hayes, J. Phys. Chem. 1966, 70, 3740.
11. J. L. M. Gole, A. K. Q. Siu, E. F. Hayes, J. Chem. Phys. 1973, 58, 857.
12. C. A. Coulson, Nature 1969, 221, 1106.
13. K. J. Donald, W. H. Mulder, L. v. Szentpály, J. Chem. Phys. 2003, 119, 5423.
14. M. Guido, G. Gigli, J. Chem. Phys. 1976, 65, 1397.
15. L. v. Szentpàly, P. Schwerdtfeger, Chem. Phys. Lett. 1990, 170, 555.
16. I. Bytheway, R. J. Gillespie, T.-H. Tang, R. F. W. Bader, Inorg. Chem. 1995, 34, 2407.
17. I. B. Bersuker, In The Jahn-Teller effect; Cambridge University Press: Cambridge, 2006.
18. C. Jungen, A. J. Merer, In Spectroscopy, Modern Research Vol. II;, K. N. Rao, Ed.; Academic Press; New York, 1976.
19. G. Herzberg, In Electronic Spectra and Electronic Structure of Polyatomic Molecules; Van Nostrand Reinhold Company: New York, 1966.
20. R. N. Dixon, Mol. Phys. 1965, 9, 357.
21. J. M. Brown, J. Mol. Spectrosc. 1977, 68, 412.
22. S. Carter, N. C. Handy, C. Puzzarini, R. Tarroni, P. Palmieri, Mol. Phys. 2000, 98, 1697.
23. Y. Liu, I. B. Bersuker, W. Zou, J. E. Boggs, Chem. Phys. 2010, 376, 30.
24. (a), I. B Bersuker, Teor. Eksp. Khim. 1980, 16, 291
25. (b), I. B Bersuker, Nouv. J. Chim. 1980, 4, 139
26. (c), I. B Bersuker, Fiz. Tverd. Tela (Sov. Phys.-Solid State) 1988, 30, 1738.
27. I. B. Bersuker, N. N. Gorinchoi, V. Z. Polinger, Theor. Chim. Acta 1984, 66, 161.
28. I. B. Bersuker, V. Z. Polinger, In Vibronic Interactions in Molecules and Crystals; Springer-Verlag: Berlin, 1989.
29. I. B. Bersuker, N. B. Balabanov, D. M. Pekker, J. E. Boggs, J. Chem. Phys. 2002, 117, 10478.
30. L. Yang, W. Zou, I. B. Bersuker, J. E. Boggs, J. Chem. Phys., 2009, 130, 184305.