Photodissociation of CH3I: A full-dimensional (9D) quantum dynamics study

Journal of Physical Chemistry A

Volumn 115, Issue 23, 2011, Pages 5992-6001

  Evenhuis, Christian R ^a,b   Manthe, Uwe ^a  

^a BIELEFELD UNIVERSITY   (Germany)

^b STANFORD UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CALCULATIONS; ASYMMETRIC BENDING; BENDING MOTION; DIABATIC MODELS; DIABATIC POTENTIALS; DISSOCIATION PROCESS; EXPERIMENTAL SPECTRA; HARTREE APPROACH; METHYL IODIDE; PARALLEL EXCITATION; PRODUCT DISTRIBUTIONS; QUANTUM DYNAMICS; STRONG COUPLING; SYMMETRIC STRETCHING; TIME-DEPENDENT; VERTICAL EXCITATION ENERGY; WAVE-PACKET DYNAMICS;

CALCULATIONS; CHEMICAL REACTIONS; EXPERIMENTS; PHOTODISSOCIATION; QUANTUM CHEMISTRY; QUANTUM THEORY;

ABSORPTION SPECTROSCOPY;

IODINATED HYDROCARBON; METHYL IODIDE;

ARTICLE; CHEMISTRY; PHOTOCHEMISTRY; QUANTUM THEORY; TIME;

HYDROCARBONS, IODINATED; PHOTOCHEMICAL PROCESSES; QUANTUM THEORY; TIME FACTORS;

EID: 79959940494     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp1103998     Document Type: Article

References (54)

1. Guo, H. Chem. Phys. Lett. 1991, 187, 360.
2. Hammerich, A. D.; Manthe, U.; Kosloff, R.; Meyer, H.-D.; Cederbaum, L. S. J. Chem. Phys. 1994, 101, 5623.
3. Xie, D.; Guo, H.; Amatatsu, Y.; Kosloff, R. J. Phys. Chem. A 2000, 104, 1009.
4. Eppink, A. T. J. B.; Parker, D. H. J. Chem. Phys. 1998, 109, 4758.
5. de Nalda, R.; Dura, J.; Garcia-Vela, A.; Izquierdo, J. G.; Gonzalez- Vazqurez, J.; Banares, L. J. Chem. Phys. 2008, 128, 244309.
6. Amatatsu, Y.; Morokuma, K.; Yabushita, S. J. Chem. Phys. 1991, 94, 4858.
7. Guo, H. J. Chem. Phys. 1992, 96, 6629.
8. Manthe, U.; Hammerich, A. D. Chem. Phys. Lett. 1993, 211, 7.
9. Meyer, H.-D.; Manthe, U.; Cederbaum, L. S. Chem. Phys. Lett. 1990, 165, 73.
10. Manthe, U.; Meyer, H.-D.; Cederbaum, L. S. J. Chem. Phys. 1992, 97, 3199.
11. Amatatsu, Y.; Yabushita, S.; Morokuma, K. J. Chem. Phys. 1996, 104, 9783.
12. Gerdts, T.; Manthe, U. J. Chem. Phys. 1997, 107, 6584.
13. Aljitha, D.; Fedorov, D. G.; Finley, J. P.; Hirao, K. J. Chem. Phys. 2002, 117, 7068.
14. Aljitha, D.; Wiezbowska, M.; Lindh, R.; Malmqvist, P. A. J. Chem. Phys. 2004, 121, 5761.
15. Alekseyev, A. B.; Liebermann, H.-P.; Buenker, R. J.; Yurchenko, S. N. J. Chem. Phys. 2007, 126, 234102.
16. Alekseyev, A. B.; Liebermann, H.-P.; Buenker, R. J. J. Chem. Phys. 2007, 126, 234103.
17. Eppink, A. T. J. B.; Parker, D. H. J. Chem. Phys. 1999, 110, 832.
18. Li, G.; Shin, Y. K.; Hwang, H. J. J. Phys. Chem. A 2005, 109, 9226.
19. Rubio-Lago, L.; Garcia-Vela, A.; Arregui, A.; Amaral, G. A.; Banares, L. J. Chem. Phys. 2009, 131, 174309.
20. de Nalda, R.; Izquierdo, J. G.; Dura, J.; Banares, L. J. Chem. Phys. 2007, 126, 021101.
21. Dura, J.; de Nalda, R.; Amaral, G. A.; Banares, L. J. Chem. Phys. 2009, 131, 134311.
22. Beck, M. H.; Jäckle, A.; Worth, G. A.; Meyer, H.-D. Phys. Rep. 2000, 324, 1.
23. Raab, A.; Worth, G. A.; Meyer, H.-D.; Cederbaum, L. S. J. Chem. Phys. 1999, 110, 936.
24. Huarte-Larranaga, F.; Manthe, U. J. Chem. Phys. 2000, 113, 5115.
25. Wang, H.; Thoss, M. J. Chem. Phys. 2003, 119, 1289.
26. Coutinho-Neto, M. D.; Viel, A.; Manthe, U. J. Chem. Phys. 2004, 121, 9207.
27. Wang, H.; Skinner, D. E.; Thoss, M. J. Chem. Phys. 2006, 125, 174502.
28. Vendrell, O.; Gatti, F.; Lauvergnat, D.; Meyer, H.-D. J. Chem. Phys. 2007, 127, 184302.
29. Manthe, U. J. Chem. Phys. 2008, 128, 164116.
30. Manthe, U. J. Chem. Phys. 2009, 130, 054109.
31. Schiffel, G.; Manthe, U. J. Chem. Phys. 2010, 132, 191101.
32. Evenhuis, C.; Nyman, G.; Manthe, U. J. Chem. Phys. 2007, 127, 144302.
33. Schiffel, G.; Manthe, U. J. Chem. Phys. 2010, 132, 084103.
34. Schiffel, G.; Manthe, U. J. Chem. Phys. 2010, 133, 174124.
35. Medvedev, D. M.; Harding, L. B.; Gray, S. K. Mol. Phys. 2006, 104, 73.
36. Shapiro, M. J. Phys. Chem. 1986, 90, 3644.
37. Manthe, U. J. Chem. Phys. 2008, 128, 064108.
38. Manthe, U. J. Chem. Phys. 1996, 105, 6989.
39. Beck, M. H.; Meyer, H.-D. Z. Phys. D 1997, 42, 113.
40. Manthe, U. Chem. Phys. 2006, 329, 168.
41. Harris, D. O.; Engerholm, G. G.; Gwinn, W. D. J. Chem. Phys. 1965, 43, 1515.
42. Dickinson, A. S.; Certain, P. R. J. Chem. Phys. 1968, 49, 4209.
43. Light, J. C.; Hamilton, I. P.; Lill, J. V. J. Chem. Phys. 1985, 82, 1400.
44. Kosloff, D.; Kosloff, R. J. Comput. Phys. 1983, 52, 35.
45. Schiffel, G.; Manthe, U. Chem. Phys. 2010, 374, 118.
46. Gedanken, A.; Rowe, M. D. Chem. Phys. Lett. 1975, 34, 39.
47. Manthe, U.; Köppel, H. J. Chem. Phys. 1990, 93, 345.
48. Manthe, U.; Köppel, H. J. Chem. Phys. 1990, 93, 1658.
49. Manthe, U.; Köppel, H. Chem. Phys. Lett. 1991, 178, 36.
50. Manthe, U.; Köppel, H.; Cederbaum, L. S. J. Chem. Phys. 1991, 95, 1708.
51. Schinke, R. Photodissociation Dynamics; Cambridge University Press: New York, 1999.
52. Suzuki, T.; Kanimori, H.; Hirota, E. J. Chem. Phys. 1991, 94, 6607.
53. Loo, R. O.; Haerri, H. P.; Hall, G.; Houston, P. L. J. Chem. Phys. 1989, 90, 4222.
54. Loo, R. O.; Hall, G.; Haerri, H. P.; Houston, P. L. J. Phys. Chem. 1988, 92, 5.