Role of surface crossings in the photochemistry of nitromethane

Journal of Chemical Physics

Volumn 122, Issue 8, 2005, Pages

  Arenas, Juan F ^a   Otero, Juan C ^a   Peláez, Daniel ^a   Soto, Juan ^a  

^a UNIVERSITY OF MÁLAGA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC STATES; LOCALIZED STATES; NITROMETHANE; TRIPLET STATES;

ACTIVATION ENERGY; DISSOCIATION; PERTURBATION TECHNIQUES; PHOTOCHEMICAL REACTIONS; VECTORS;

ORGANIC COMPOUNDS;

EID: 23044468254     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1851977     Document Type: Article

References (46)

1. H. S. Kilic, K. W. D. Ledingham, C. Kosmidis et al., J. Phys. Chem. A 101, 817 (1997).
2. M. R. Manaa, E. J. Reed, L. E. Fried, G. Galli, and F. Gygi, J. Chem. Phys. 120, 10146 (2004).
3. A. Pelc, W. Sailer, S. Matejcik, P. Scheier, and T. D. Märk, J. Chem. Phys. 119, 7887 (2003).
4. F. I. Bellisarii, S. Gallina, M. Zimarino, and R. De Caterina, Eur. J. Clin. Invest 33, 933 (2003).
5. I. C. Walker and M. A. D. Fluendy, Int. J. Mass. Spectrom. 205, 171 (2001).
6. J. F. Arenas, J. C. Otero, D. Peláez, and J. Soto, J. Chem. Phys. 119, 7814 (2003).
7. L. J. Butler, D. Krajnovich, Y. T. Lee, G. Ondrey, and R. Bersohn, J. Chem. Phys. 79, 1708 (1983).
8. N. C. Blais, J. Chem. Phys. 79, 1723 (1983).
9. K. Q. Lao, E. Jensen, P. W. Kash, and L. J. Butler, J. Chem. Phys. 93, 3958 (1990).
10. D. B. Moss, K. A. Trentelman, and P. L. Houston, J. Chem. Phys. 96, 237 (1992).
11. K. J. Spears and S. P. Brugge, Chem. Phys. Lett. 54, 373 (1978).
12. P. E. Schoen, M. J. Marrone, J. M. Schnur, and L. S. Goldberg, Chem. Phys. Lett. 90, 272 (1981).
13. S. Zabarnick, J. W. Fleming, and A. P. Baronavski, J. Chem. Phys. 85, 3395 (1986).
14. G. D. Greenblatt, H. Zuckermann, and Y. Hass, Chem. Phys. Lett. 134, 593 (1986).
15. C. Rajchenbach, G. Jonusauskas, and C. Rullière, Chem. Phys. Lett. 231, 467 (1994).
16. S. Paszyc, J. Photochem. 2, 183 (1973).
17. K. Honda, H. Mikuni, and M. Takahasi, Bull. Chem. Soc. Jpn. 45, 3534 (1972).
18. W. D. Taylor, T. D. Allston, M. J. Moscato, G. B. Fazekas, R. Kozlowski, and G. A. Takas, Int. J. Chem. Kinet. 12, 231 (1980).
19. M. S. Park, K.-H. Jung, H. P. Upadhyaya, and H.-R. Volpp, Chem. Phys. 270, 133 (2001).
20. P.-O. Widmark, P.-Å. Malmqvist, and B. O. Roos, Theor. Chim. Acta 77, 291 (1990).
21. B.O. Roos, in Advances in Chemical Physics, Ab Initio Methods in Quantum Chemistry Vol. 2, edited by, K. P. Lawley, (Wiley, Chichester, United Kingdom, 1987), Chap. 69, p. 399.
22. K. Andersson, M. Barysz, A. Bernhardsson et al., MOLCAS, version 5.4. (Lund University, Sweden, 2002).
23. (a) M.J. Frisch, G.W. Trucks, H.B. Schlegel et al., GAUSSIAN 03, Revision B.04, Gaussian, Inc., Pittsburgh, PA, 2003;
24. (b) M. J. Bearpark, M. A. Robb, and H. B. Schlegel, Chem. Phys. Lett. 223, 269 (1994);
25. (c) D. R. Yarkony, J. Chem. Phys. 92, 2457 (1990).
26. J. F. Arenas, S. P. Centeno, I. López-Tócon, D. Peláez, and J. Soto, J. Mol. Struct.: THEOCHEM 630, 17 (2003).
27. J. F. Arenas, J. C. Otero, D. Peláez, J. Soto, and L. Serrano-Andrés, J. Chem. Phys. 121, 4127 (2004).
28. J. F. Arenas, J. I. Marcos, I. López-Tócon, J. C. Otero, and J. Soto, J. Chem. Phys. 113, 2282 (2000).
29. J. Finley, P.-Å. Malmqvist, B. O. Roos, and L. Serrano- Andrés, Chem. Phys. Lett. 288, 299 (1998).
30. N. Forsberg and P.-Å. Malmqvist, Chem. Phys. Lett. 274, 196 (1997).
31. P.-Å. Malmqvist, Int. J. Quantum Chem. 30, 470 (1986);
32. P.-Å. Malmqvist and B. O. Roos, Chem. Phys. Lett. 155, 189 (1989).
33. B. A. Hess, C. Marian, U. Wahlgren, and O. Gropen, Chem. Phys. Lett. 251, 365 (1996).
34. P.-Å. Malmqvist, B. O. Roos, and B. Schimmelpfenning, Chem. Phys. Lett. 357, 230 (2002).
35. C. Ribbing, B. Gilliams, K. Pierloot, B. O. Roos, and G. Karlström, J. Chem. Phys. 109, 3145 (1998).
36. T. R. Furlani and H. F. King, J. Chem. Phys. 82, 5577 (1985).
37. E. Teller, J. Phys. Chem. 41, 109 (1937).
38. M. Klessinger and J. Michl, Excited States and Photochemistry of Organic Molecules (WCH, New York, 1995).
39. J. F. Arenas, I. López-Tocón, J. C. Otero, and J. Soto, J. Am. Chem. Soc. 124, 1728 (2002).
40. J. C. Tully and R. K. Preston, J. Chem. Phys. 55, 562 (1971);
41. J. C. Tully, 93, 1061 (1990).
42. E. R. Davidson and W. T. Borden, J. Phys. Chem. 87, 4783 (1983).
43. B. Maiti and G. C. Schatz, J. Chem. Phys. 119, 12360 (2003).
44. M. R. Hoffmann and C. Schatz, J. Chem. Phys. 113, 9456 (2000).
45. D. R. Yarkony, J. Am. Chem. Soc. 114, 5406 (1992).
46. B. M. Bode and M. S. Gordon, J. Mol. Graphics Modell. 16, 133 (1999).