Abstract
A general discussion of the role of degeneracy in the Jahn-Teller effect (JTE) theory is discussed. The latest developments of the theory in combination with electronic structure calculations show that the pseudo JTE, which is based on vibronic coupling between two or more nondegenerate electronic states, does not require the energy gap Δ between them to be small. Large vibronic effects are possible for any Δ value, and the coupling to excited states is the only source of instability of the ground state. This allows for a more general formulation of the theorem of vibronic coupling effects, which makes the theory applicable to any polyatomic system. For ground vibronic energy levels, recent achievements show that they may be nondegenerate too. Degeneracy is thus not an inalienable attribute to polyatomic systems with strong vibronic coupling effects.
This is a preview of subscription content, log in via an institution to check access.
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
Preview
Unable to display preview. Download preview PDF.
References
Jahn, H. A.; E. Teller, E. Proc.Roy. soc., 1937,161, 220.
Opik, U.; M. H. L. Pryce, M. H. L. Proc. Roy. Soc., 1957, A238, 425.
Bersuker, I. B. Nouv. J. Chim., 1980,4, 139
Bersuker, I. B. Teor. Eksp. Khim. 1980,16, 291
Bersuker, I. B. Pure & AppL Chem., 1988, 60, 1167;
Bersuker, I. B.Fiz. Tverdogo Tela 1988,30, 1738.
Bersuker, I. B.; Gorinchoi, N. N.; Polinger, V. Z. Theor. Chim. Acta, 1984, 66, 161
Bersuker, I. B.; Polinger, V. Z.; Gorinchoi, N. N. J. Struct. Chem. (Theochem) 1992, 5, 369
Bersuker, I. B. New J. Chem. 1993,17, 3.
Koppel, H. Domcke, W.; Cederbaum, L. S. Adv. Chem. Phys. 1984, 57, 59.
Koppel, H; Cederbaum, L. s. Domcke, W; Von Niessen, W. Chem. Phys. 1979, 37, 303;; ; ;
Tanaka, K; Davidson, E. R. J. Phys, Chem. 1979, 70, 2904
Gorinchoi, N. N.; Chimpoesu, F.; Bersuker, I. B. J. Mol. Struct. (TEOCHEM) 2000, 00, 000
Ogurtsov, I. Ya.; Munteany, G.; Bersuker, I. B.; Bantugh, L. J. Mol. Struct (TEOCHEM) 2000, 00, 000
Mahapatra, S.; Cederbaum, L. S.; Koppel, H. J. Chem. Phys. 1999, 111, 10452
Bawagan, A. D. O.; Chanty, T. K.; Davidson, E. R., Tan, K. H. Chem. Phys. Lett. 1998, 287, 61
Meiswinkel, R; Koppel, H. Chem. Phys. 1990,144, 117
Borden, W. T.; Davidson, E. R. Feller, D. J. Am. Chem. Soc. 1980,102, 5302;
Meiswinkel, R.; Koppel, H. Chem. Phys. Lett. 1993, 201, 449;
Doscher, M.; Koppel, H. Chem. Phys. 1997, 225, 93;
Polinger, V. Z.; Gorinchoi,N. N.; Bersuker, I. B. Chem. Phys. 1992, 759, 75;
Gazo, J.; Bersuker, I. B.; Garaj, J. Coord. Chem. Rev. 1976, 19, 253 .
Bersuker, I. B., Polinger, V. Z., Vibronic Interactions in Molecules and Crystals, Springer:New York, 1989
Bersuker, I. B. Electronic Structure and Properties of Transition Metal Compounds Introduction to the Theory, Wiley: New York, 1996
Bersuker, I. B., Opt. Spectrosc, 1961, 77, 319;
Zh. Eksp. Teor. Fiz. 1962, 43,1315 (Enlish transl: Sov. Phys. -JETP 1963, 76, 933)
Longuet-Higgins, H. C; Opik U.; Pryce, M. H. L.; Sack, R. A. Proc. R. Soc. London, Ser A, 1958, 244, 1
Herzberg, G.; Longuet-Higging, H. C. Discuss. Faraday Soc. 1963, 35, 11.
Berry, M. V. Proc. R. Soc. 1984, A392, 45.
O’Brien, M. C. M. Proc. Roy. Soc. (London), 1964, A28l, 323.
Bersuker, I. B., Coord. Chem. Rev. 1975, 14, 357
Koizumi, H.; Bersuker, I. B. Phys. Rev. Lett. 1999, 83, 3009
Moate, M. C. P.; O’Brien, M. C. M.; Dunn, J. L., Bates, C. A.; Liu, Y. M.; Polinger, V. Z. Phys. Rev. Lett. 1996,77,4362
Koizumi, H.; Bersuker, I. B., Boggs, J.; Polinger, V. Z. J. Chem. Phys. 2000, 772, 8470.
Bevilacqua, G.; Bersuker, I. B.; Martinelli, L., this edition, p 00
Author information
Authors and Affiliations
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 2001 Springer Science+Business Media Dordrecht
About this chapter
Cite this chapter
Bersuker, I.B. (2001). Degenerate and Nondegenerate States in Jahn-Teller Problems. In: Kaplan, M.D., Zimmerman, G.O. (eds) Vibronic Interactions: Jahn-Teller Effect in Crystals and Molecules. NATO Science Series, vol 39. Springer, Dordrecht. https://doi.org/10.1007/978-94-010-0985-0_8
Download citation
DOI: https://doi.org/10.1007/978-94-010-0985-0_8
Publisher Name: Springer, Dordrecht
Print ISBN: 978-1-4020-0045-4
Online ISBN: 978-94-010-0985-0
eBook Packages: Springer Book Archive