The reactions Al(2P) + H2 → AlH2(12A′, 22A′) → AlH2(X2A1) or AlH(X1 Σ+) + H: Unusual conical intersections and possible nonadiabatic recrossing

Journal of Physical Chemistry A

Volumn 101, Issue 43, 1997, Pages 7953-7959

  Chaban, Galina ^a   Gordon, Mark S ^a   Yarkony, David R ^b  

^a IOWA STATE UNIVERSITY   (United States)

^b JOHNS HOPKINS UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; DECOMPOSITION; ELECTRON ENERGY LEVELS; ELECTRON TRANSITIONS; ELECTRONIC STRUCTURE; HYDROGEN BONDS; MOLECULAR VIBRATIONS; NUMERICAL METHODS; REACTION KINETICS;

ALUMINUM DIHYDRIDE; CONICAL INTERSECTIONS; NONADIABATIC RECROSSINGS; TRIFURCATION;

ALUMINUM COMPOUNDS;

EID: 0031246045     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp971612h     Document Type: Article

References (28)

1. Waschewsky, G. C. G.; Kash, P. W.; Myers, T. L.; Kitchen, D. C.; Butler, L. J. J. Chem. Soc., Faraday Trans. 1994, 90, 1581.
2. Allison, T. C.; Mielke, S. L.; Schwenke, D. W.; Truhlar, D. G. J. Chem. Soc., Faraday Trans. 1997, 93, 825-832.
3. Gordon, M. S.; Chaban, G.; Taketsugu, T. J. Phys. Chem. 1996, 100, 11512-11525.
4. Huber, K. P.; Herzberg, G. Molecular Spectra and Molecular Structure IV. Constants of Diatomic Molecules; Van Nostrand Reinhold: New York, 1979.
5. Yarkony, D. R. J. Phys. Chem. A 1997, 101, 4263-4270.
6. Lengsfield, B. H.; Yarkony, D. R. In State-Selected and State to State Ion-Molecule Reaction Dynamics: Part 2 Theory; Baer, M., Ng, C.-Y., Eds.; John Wiley and Sons: New York, 1992; Vol. 82. pp 1-71.
7. Shavitt, I. In Modern Theoretical Chemistry; Schaefer, H. F., Ed.; Plenum Press: New York, 1976; Vol. 3, p 189.
8. Silverstone, H. J.; Sinanoglu, O. J. Chem. Phys. 1966, 44, 1899-1907.
9. Yarkony, D. R. J. Phys. Chem. 1996, 100, 18612-18628.
10. Jensen, J. O.; Yarkony, D. R. J. Chem. Phys. 1988, 89, 3853.
11. Yarkony, D. R. Rev. Mod. Phys. 1996, 68, 985.
12. Mead, C. A. J. Chem. Phys. 1983, 78, 807-814.
13. Mead, C. A. J. Chem. Phys. 1980, 72, 3839.
14. Kuppermann, A.; Wu, Y.-S. M. Chem. Phys. Lett. 1993, 205, 577.
15. Longuet-Higgins, H. C. Adv. Spectrosc. 1961, 2, 429.
16. Mead, C. A.; Truhlar, D. G. J. Chem. Phys. 1979, 70, 2284-2296.
17. Berry, M. V. Proc. R. Soc. London Ser. A 1984, 392, 45-57.
18. Mead, C. A. Rev. Mod. Phys. 1992, 64, 51-85.
19. Atchity, G. J.; Ruedenberg, K.; Nanayakkara, A. Theor. Chem. Acc. 1997, 96, 195.
20. Matsunaga, N.; Yarkony, D. R. J. Chem. Phys., in press.
21. Yarkony, D. R. In Modern Electronic Structure Theory; Yarkony, D. R., Ed.; World Scientific: Singapore, 1995; pp 642-721.
22. Xantheas, S.; Elbert, S. T.; Ruedenberg, K. J. Chem. Phys. 1990, 93, 7519-7521.
23. Xantheas, S. S.; Atchity, G. J.; Elbert, S. T.; Ruedenberg, K. J. Chem. Phys. 1991, 94, 8054-8069.
24. Mead, C. A.; Truhlar, D. G. J. Chem. Phys. 1982, 77, 6090-6098.
25. Yarkony, D. R. J. Chem. Phys. 1996, 105, 10456-10461.
26. Alexander, M. J. Chem. Phys. 1993, 99, 6014.
27. Alexander, M.; Yang, M. J. Chem. Phys. 1995, 103, 7956.
28. Yang, X.; Hwang, E.; Dagdigian, P. J. J. Chem. Phys. 1996, 104, 8165.