On the Jahn-Teller and pseudo-Jahn-Teller effects in the photoelectron spectrum of cyclopropane

Journal of Molecular Structure

Volumn 838, Issue 1-3, 2007, Pages 100-106

  Venkatesan, T S ^a   Mahapatra, S ^a   Koppel H ^b   Cederbaum, L S ^b  

^a UNIVERSITY OF HYDERABAD   (India)

^b UNIVERSITY OF HEIDELBERG   (Germany)

Author keywords

Conical intersections; Jahn Teller and pseudo Jahn Teller effects; Nonadiabatic coupling

Indexed keywords

AROMATIC COMPOUNDS; ELECTRONIC STATES; FREE RADICALS; PHOTOELECTRONS; POSITIVE IONS; SPECTRUM ANALYSIS;

CYCLOPROPANE; JAHN TELLER EFFECTS; NONADIABATIC COUPLING; WAVE PACKET PROPAGATION;

PROPANE;

EID: 34249320824     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2007.01.007     Document Type: Article

References (57)

1. Jahn H.A., and Teller E. Proc. R. Soc. Lond. A 161 (1937) 220
2. Öpik U., and Pryce M.H.L. Proc. R. Soc. Lond. A 238 (1957) 425
3. Longuet-Higgins H.C., Öpik U., and Pryce M.H.L. R.A. Sack. Proc. R. Soc. A 244 (1958) 1
4. Longuet-Higgins H.C. Adv. Spectrosc. 2 (1961) 429
5. Englman R. The Jahn-Teller Effect in Molecules and Crystals (1972), Wiley, New York
6. Bersuker I.B., and Polinger V.Z. Vibronic Interactions in Molecules and Crystals (1989), Springer-Verlag, Berlin
7. Barckholtz T.A., and Miller T.A. Int. Rev. Phys. Chem. 17 (1998) 435
8. Bersuker I.B. Chem. Rev. 101 (2001) 1067
9. Köppel H., Domcke W., and Cederbaum L.S. Adv. Chem. Phys. 57 (1984) 59
10. Teller E. J. Phys. Chem. 41 (1937) 109
11. Herzberg G., and Longuet-Higgins H.C. Discuss. Faraday Soc. 35 (1963) 77
12. Carrington T. Discuss. Farad. Soc. 53 (1972) 27
13. Yarkony D.R. Rev. Mod. Phys. 68 (1996) 985
14. Yarkony D.R. Acc. Chem. Res. 31 (1998) 511
15. Robb M.A. Pure Appl. Chem. 67 (1995) 783
16. Bernardi F., Olivucci M., and Robb M.A. Chem. Soc. Rev. 25 (1996) 321
17. Conical intersections in photochemistry, spectroscopy and chemical dynamics, Chem. Phys. 259 (2000) 121-337.
18. In: Domcke W., Yarkony D.R., and Köppel H. (Eds). Conical Intersections: Electronic Structure, Dynamics and Spectroscopy (2004), World Scientific, Singapore
19. Born M., and Oppenheimer R. Ann. Phys. (Leipzig) 84 (1927) 457
20. Worth G.A., and Cederbaum L.S. Ann. Rev. Phys. Chem. 55 (2004) 127
21. Lichten W. Phys. Rev. 164 (1967) 131
22. Smith F.T. Phys. Rev. 179 (1969) 111
23. O'Malley T.F. Adv. At. Mol. Phys. 7 (1971) 223
24. Pacher T., Cederbaum L.S., and Köppel H. Adv. Chem. Phys. 84 (1993) 293
25. Perrin M.H., and Gouterman M. J. Chem. Phys. 46 (1967) 1019
26. van der Waals J.H., Berghuis A.M.D., and de Groot M.S. Mol. Phys. 13 (1967) 301
27. Stephens P.J. J. Chem. Phys. 51 (1969) 1995
28. Zgierski M.Z., and Pawlikowski M. J. Chem. Phys. 70 (1979) 3444
29. Köppel H., Cederbaum L.S., and Domcke W. J. Chem. Phys. 89 (1988) 2023
30. Venkatesan T.S., Mahapatra S., Cederbaum L.S., and Köppel H. J. Phys. Chem. A 108 (2004) 2256
31. Basch H., Robin M.B., Kuebler N.A., Baker C., and Turner D.W. J. Chem. Phys. 51 (1969) 52
32. Turner D.W., Baker C., Baker A.D., and Brundle C.R. Molecular Photoelectron Spectroscopy (1970), Wiley, New York
33. Lindholm E., Fridh C., and Åsbrink L. Faraday Discuss. Chem. Soc. 54 (1972) 127
34. Schweig A., and Thiel W. Chem. Phys. Lett. 21 (1973) 541
35. Potts A.W., and Streets D.G. J. Chem. Soc., Faraday Trans. II 70 (1974) 875
36. Leng F.J., and Nyberg G.L. J. Electron Spectrosc. Relat. Phenom. 11 (1977) 293
37. Kimura K., Katsumata S., Achiba Y., Yamazaki T., and Iwata S. Handbook of HeI Photoelectron Spectra of Fundamental Organic Molecules (1981), Japan Scientific Societies Press, USA
38. Keller P.R., Taylor J.W., Carlson T.A., Whitley T.A., and Grimm F.A. Chem Phys. 99 (1985) 317
39. Holland D.M.P., Karlsson L., and Siegbahn K. J. Electron Spectrosc. Related Phenom. 125 (2002) 57
40. T.S. Venkatesan, S. Mahapatra, H.-D. Meyer, H. Köppel, L.S. Cederbaum, J. Phys. Chem. A, in press.
41. Dunning Jr. T.H. J. Chem. Phys. 90 (1989) 1007
42. Cederbaum L.S. J. Phys. B 8 (1975) 290
43. von Niessen W., Schirmer J., and Cederbaum L.S. Comp. Phys. Rep. 1 (1984) 57
44. G.A. Worth, M.H. Beck, A. Jäckle, H.-D. Meyer, The MCTDH Package, Version 8.2 (2000), University of Heidelberg, Germany. H.-D. Meyer, Version 8.3 (2002). .
45. Meyer H.-D., Manthe U., and Cederbaum L.S. Chem. Phys. Lett. 165 (1990) 73
46. Manthe U., Meyer H.-D., and Cederbaum L.S. J. Chem. Phys. 97 (1992) 3199
47. Worth G.A., Meyer H.-D., and Cederbaum L.S. J. Chem. Phys. 109 (1998) 3518
48. Mahapatra S., Worth G.A., Meyer H.-D., Cederbaum L.S., and Köppel H. J. Phys. Chem. A 105 (2001) 5567
49. Köppel H., Döscher M., Bâldea I., Meyer H.-D., and Szalay P.G. J. Chem. Phys. 117 (2002) 2657
50. Markmann A., Worth G.A., Mahapatra S., Meyer H.-D., Köppel H., and Cederbaum L.S. J. Chem. Phys. 123 (2005) 204310
51. Beck M.H., Jäckle A., Worth G.A., and Meyer H.-D. Phys. Rep. 324 (2000) 1
52. Beck M.H., and Meyer H.-D. Z. Phys. D: At. Mol. Clusters 42 (1997) 113
53. Meyer H.-D. In: Schleyer P.v.R., et al. (Ed). The Encyclopedia of Computational Chemistry vol. 5 (1998), Wiley, Chichester 3011-3018
54. Domcke W., Köppel H., and Cederbaum L.S. Mol. Phys. 43 (1981) 851
55. Engel V. Chem. Phys. Lett. 189 (1992) 76
56. Schmidt-Klügmann J., Köppel H., Schmatz S., and Botschwina P. Chem. Phys. Lett. 369 (2003) 21
57. Mahapatra S., Vallet V., Woywod C., Köppel H., and Domcke W. J. Chem. Phys. 123 (2005) 231103