Theoretical study on the nonadiabatic transitions in the photodissociation of Cl2, Br2, and I2

Bulletin of the Korean Chemical Society

Volumn 24, Issue 6, 2003, Pages 703-711

  Asano, Yukako ^a,b   Yabushita, Satoshi ^a  

^a KEIO UNIVERSITY   (Japan)

^b HITACHI LTD   (Japan)

Author keywords

Nonadiabatic transition; Noncrossing type transition; Photodissociation; SOCI method; Spin orbit interaction

Indexed keywords

BROMIDE; CHLORIDE; IODIDE;

CONFERENCE PAPER; DISSOCIATION; DISSOCIATION CONSTANT; MATHEMATICAL ANALYSIS; MOLECULAR INTERACTION; PHASE TRANSITION; WAVEFORM;

EID: 0042066692     PISSN: 02532964     EISSN: None     Source Type: Journal    
DOI: 10.5012/bkcs.2003.24.6.703     Document Type: Conference Paper

References (25)

1. Bracker, A. S.; Wouters, E. R.; Suits, A. G.; Vasyutinskii, O. S. J. Chem. Phys. 1999, 110, 6749.
2. Alexander, A. J.; Kim, Z. H.; Kandel, S. A.; Zare, R. N.; Rakitzis, T. P.; Asano, Y.; Yabushita, S. J. Chem. Phys. 2000, 113, 9022.
3. Rakitzis, T. P.; Kitsopoulos, T. N. J. Chem. Phys. 2002, 116, 9228.
4. Bass, M. J.; Brouard, M.; Clark, A. P.; Vallance, C.; Martinez-Haya, B. Phys. Chem. Chem. Phys. 2003, 5, 856.
5. Asano, Y.; Yabushita, S. J. Phys. Chem. A 2001, 105, 9873.
6. Asano, Y.; Yabushita, S. Chem. Phys. Lett. 2003, 372, 348.
7. Li, J.; Balasubramanian, K. J. Mol. Spectrosc. 1989, 138, 162.
8. Teichteil, C.; Pelissier, M. Chem. Phys. 1994, 180, 1.
9. de Jong, W. A.; Visscher, L.; Nieuwpoort, W. C. J. Chem. Phys 1997, 107, 9046.
10. LaJohn, L. A.; Christiansen, P. A.; Ross, R. B.; Atashroo, T.; Ermler, W. C. J. Chem. Phys. 1987, 87, 2812.
11. Yabushita, S.; Morokuma, K. Chem. Phys. Lett. 1990, 175, 518.
12. Amatatsu, Y.; Morokuma, K.; Yabushita, S. J. Chem. Phys. 1991, 94, 4858.
13. Shepard, R.; Shavitt, I.; Pitzer, R. M.; Comeau, D. C.; Pepper, M.; Lischka, H.; Szalay, P. G.; Ahlrichs, R.; Brown, F. B.; Zhao, J.-G. Int. J. Quantum. Chem. Symp. 1988, 22, 149.
14. Morokuma, K.; Yamashita, K.; Yabushita, S. Potential Energy Surfaces of Several Elementary Chemical Reactions. In Supercomputer Algorithms for Reactivity, Dynamics and Kinetics of Small Molecules; Laganà, A., Ed.; Kluwer: Dordrecht, The Netherlands, 1989; p 37.
15. Yabushita, S.; Zhang, Z.; Pitzer, R. M. J. Phys. Chem. A 1999, 103, 5791.
16. Huber, K. P.; Herzberg, G. Constants of Diatomic Molecules; Van Nostrand Reinhold: New York, 1979.
17. Coxon, J. A. In Low-lying Electronic States of Diatomic Halogen Molecules; Barrow, R. F.; Long, D. A.; Millen, D. J., Eds.; Molecular Spectroscopy Vol. 1; The Chemical Society: London, 1973; p 177.
18. Galloy, C.; Lorquet, J. C. J. Chem. Phys. 1977, 67, 4672.
19. Nikitin, E. E.; Umanskii, S. Theory of Slow Atomic Collisions; Springer-Verlag: New York, 1984.
20. Singer, S. J.; Freed, K. F.; Band, Y. B. Adv. Chem. Phys. 1985, 61, 1.
21. Lefebvre-Brion, H.; Field, R. W. Perturbations in the Spectra of Diatomic Molecules; Academic: New York, 1986.
22. Pacios, L. F.; Christiansen, P. A. J. Chem. Phys. 1985, 82, 2664.
23. Hurley, M. M.; Pacios, L. F.; Christiansen, P. A.; Ross, R. B; Ermler, W. C. J. Chem. Phys. 1986, 84, 6840.
24. Nikitin, E. E.; Zülicke, L. Selected Topics of the Theory of Chemical Elementary Processes; Lecture Notes in Chemistry 8; Springer-Verlag: Berlin, 1978.
25. Singer, S. J.; Freed, K. F.; Band, Y. B. J. Chem. Phys. 1983, 79, 6060.