Theoretical analysis of the vibronic structure of the zero-kinetic-energy photoelectron spectra from single vibronic levels of the S1-state manifold of naphthalene

Journal of Chemical Physics

Volumn 107, Issue 13, 1997, Pages 4827-4843

  Negri, Fabrizia ^a   Zgierski, Marek Z ^b  

^a UNIVERSITY OF BOLOGNA   (Italy)

^b NATIONAL RESEARCH COUNCIL CANADA   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; ELECTRON ENERGY LEVELS; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; NAPHTHALENE; NUMERICAL ANALYSIS; PERTURBATION TECHNIQUES; PHOTOIONIZATION; QUANTUM THEORY;

QUANTUM NUMBER; VIBRONIC STRUCTURE; ZERO KINETIC ENERGY PHOTOELECTRON SPECTROSCOPY;

PHOTOELECTRON SPECTROSCOPY;

EID: 0031256689     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.474846     Document Type: Article

References (40)

1. K. Müller-Dethlefs, M. Sander, and E.W. Schlag, Z. Naturforsch. Teil A 39, 1089 (1984).
2. K. Müller-Dethlefs and E.W. Schlag, Annu. Rev. Phys. Chem. 42, 109 (1991).
3. M.J.J. Vrakking, I. Fischer, D.M. Villeneuve, and A. Stolow, J. Chem. Phys. 103, 4538 (1995).
4. W.A. Chupka, J. Chem. Phys. 98, 4520 (1993).
5. W.A. Chupka, J. Chem. Phys. 99, 5800 (1993).
6. D-S. Yang, M.Z. Zgierski, D.M. Rayner, P.A. Hackett, A. Martinez, D.R. Salahub, P.N. Roy, and T. Carrington, Jr., J. Chem. Phys. 103, 5335 (1995).
7. D-S. Yang, A. Martinez, P.N. Roy, D.M. Rayner, M.Z. Zgierski, T. Carrington, Jr., D.R. Salahub, and P.A. Hackett, Proceedings of the XLIIIth Yamada Conference on Structures and Dynamics of Clusters, May 10-13 1995, Shimoda, Shizuoka, Japan.
8. D-S. Yang, B. Simard, P.A. Hackett, A. Bérces and M.Z. Zgierski, Int. J. Mass Spectrosc. and Ion Processes 159, 65 (1996).
9. D-S. Yang, M.Z. Zgierski, A. Bérces, P.A. Hackett, P.N. Roy, A. Martinez, T. Carrington, Jr., D.R. Salahub, R. Fournier, T. Pang, and C. Chen, J. Chem. Phys. 105, 10663 (1996).
10. M.C.R. Cockett, H. Ozeki, K. Okuyama, and K. Kimura, J. Chem. Phys. 98, 7763 (1993).
11. M. Stockburger, H. Gatterman, and W. Klusman, J. Chem. Phys. 63, 4519 (1975).
12. M. Stockburger, H. Gatterman, and W. Klusman, J. Chem. Phys, 63, 4529 (1975).
13. S.M. Beck, D.E. Powers, J.B. Hopkins, and R.E. Smalley, J. Chem. Phys. 73, 2019 (1980).
14. S.M. Beck, J.B. Hopkins, D.E. Powers, and R.E. Smalley, J. Chem. Phys. 74, 43 (1981).
15. M. Gutmann, P.F. Schönzart, and G. Hohlneicher, Chem. Phys. 140, 107 (1990).
16. J. Szczepanski, M. Vala, D. Talbi, O. Parisel, and Y. Ellinger, J. Chem. Phys. 98, 4494 (1993).
17. D.M. Hudgins, S.A. Sandford, and L.J. Allamandola, J. Phys. Chem. 98, 4243 (1994).
18. J.H.D. Eland, Photoelectron Spectroscopy (Butterworths, London, 1984).
19. M.Z. Zgierski, Chem. Phys. Lett. 47, 599 (1977).
20. F. Negri and M.Z. Zgierski, J. Chem. Phys. 104, 3486 (1996).
21. F. Negri and M.Z. Zgierski, J. Chem. Phys. 100, 1387 (1994).
22. G. Herzberg, Molecular Spectra and Molecular Structure III. Electronic Structure of Polyatomic Molecules (Van Nostrand, Princeton, 1966).
23. C. Manneback, Physica Utrecht, 17, 1001 (1951).
24. M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B. G. Johnson, M. W. Wong, J.B. Foresman, M.A. Robb, M. Head-Gordon, E.S. Replogle, R. Gomperts, J.L. Andres, K. Raghavachari, J.S. Binkley, C. Gonzalez, R.L. Martin, D.J. Fox, D.J. Defrees, J. Baker, J.J.P. Stewart, and J.A. Pople, GAUSSIAN 92/DFT, Revision G.2, Gaussian, Inc., Pittsburgh, PA, 1993.
25. A. Warshel and M. Karplus, J. Am. Chem. Soc. 94, 5612 (1972).
26. J. Del Bene and H.H. Jaffe, J. Chem. Phys. 48, 1807 (1968).
27. G. Orlandi, Chem. Phys. Lett. 44, 277 (1976).
28. A.D. Becke, Phys. Rev. A 38, 3098 (1988).
29. C. Lee, W. Yang, and R.G. Parr, Phys. Rev. B 37, 785 (1988).
30. C.P. Brock and J.D. Dunitz, Acta Crystallogr. B 38, 2218 (1982).
31. H. Sellers, P. Pulay, and J.E. Boggs, J. Am. Chem. Soc. 107, 6487 (1985).
32. E. Cané, P. Palmieri, R. Tarroni, A. Trombetti, and N.C. Handy, Gazz. Chim. Ital. 126, 289 (1996).
33. Y. Ho, Y. Yang, S.J. Klippenstein, and R.C. Dunbar, J. Phys. Chem. 99, 12115 (1995).
34. P. Swiderek, G. Hohlneicher, S.A. Maluendes, and M. Dupuis, J. Chem. Phys. 98, 974 (1993).
35. G.S. Jas and K. Kuczera, Chem. Phys. 214, 229 (1997).
36. G. Orlandi, F. Zerbetto, W.H. Henneker, and M.Z. Zgierski, Chem. Phys. Lett. 129, 296 (1986).
37. F. Zerbetto, M.Z. Zgierski, G. Orlandi, and G. Marconi, J. Chem. Phys. 87, 2505 (1987); F. Zerbetto, M.Z. Zgierski, and G. Orlandi Chem. Phys. Lett. 141, 138 (1987).
38. F. Zerbetto, M.Z. Zgierski, G. Orlandi, and G. Marconi, J. Chem. Phys. 87, 2505 (1987); F. Zerbetto, M.Z. Zgierski, and G. Orlandi Chem. Phys. Lett. 141, 138 (1987).
39. F. Negri, G. Orlandi, F. Zerbetto, and M.Z. Zgierski, J. Chem. Phys. 93, 600 (1990).
40. G. Reiser, D. Rieger, T.G. Wright, K. Müller-Dethlefs, and E.W. Schlag, J. Chem. Phys. 97, 4335 (1993).