Ground and excited state dissociation dynamics of ionized 1,1-difluoroethene

Journal of Physical Chemistry A

Volumn 109, Issue 37, 2005, Pages 8225-8235

  Gridelet, E ^a   Dehareng, D ^a   Locht, R ^a   Lorquet, A J ^a   Lorquet, J C ^a   Leyh, B ^a  

^a UNIVERSITY OF LIÈGE   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

COORDINATION REACTIONS; DISSOCIATION; ENTROPY; GROUND STATE; KINETIC ENERGY; PHOTOIONIZATION; RESONANCE; SPECTROMETERS; SURFACE CHEMISTRY;

1,1-DIFLUOROETHENE; DISSOCIATION DYNAMICS; EXCITED STATE; KINETIC ENERGY RELEASE DISTRIBUTIONS (KERD);

FLUORINE COMPOUNDS;

1,1 DIFLUOROETHANE; 1,1-DIFLUOROETHANE; FLUORINATED HYDROCARBON; ION;

ARTICLE; CHEMISTRY; DRUG STABILITY; ENTROPY; KINETICS; PHOTOCHEMISTRY; THERMODYNAMICS;

DRUG STABILITY; ENTROPY; HYDROCARBONS, FLUORINATED; IONS; KINETICS; PHOTOCHEMISTRY; THERMODYNAMICS;

EID: 25844489485     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp051542b     Document Type: Article

References (72)

1. Lifshitz, C.; Long, F. A. J. Phys. Chem. 1965, 69, 3737.
2. Reinke, D.; Kraessig, R.; Baumgärtel, H. Z. Naturforsch., A: Phys. Sci. 1973, 28, 1021.
3. Frey, R. Doktorarbeit, Universität Freiburg-in-Breisgau, 1974.
4. Güthe, F.; Locht, R.; Leyh, B.; Baumgärtel, H.; Weitzel, K. M. J. Phys. Chem. A 1999, 103, 8404.
5. Jochims, H. W.; Lohr, W.; Baumgärtel, H. Nouv. J. Chim. 1979, 3, 109.
6. Frenking, G.; Koch, W.; Schaale, M.; Baumgärtel, H. Int. J. Mass Spectrom. Ion Phys. 1984, 61, 305.
7. Stadelmann, J. P.; Vogt, J. Adv. Mass Spectrom. 1980, 8A, 47.
8. Stadelmann, J. P.; Vogt, J. Int. J. Mass Spectrom. Ion Phys. 1980, 35, 83.
9. Roorda, M.; Lorquet, A. J.; Lorquet, J. C. J. Phys. Chem. 1991, 95, 9118.
10. Momigny, J.; Locht, R. Chem. Phys. Lett. 1993, 211, 161.
11. Dannacher, J.; Schmelzer, A.; Stadelmann, J. P.; Vogt, J. Int. J. Mass Spectrom. Ion Phys. 1979, 31, 175.
12. Creasey, J. C.; Smith, D. M.; Tuckett, R. P.; Yoxall, K. R.; Codling, K.; Hatherly, P. A. J. Phys. Chem. 1996, 100, 4350.
13. Powis, I. Mol. Phys. 1980, 39, 311.
14. Jarvis, G. K.; Boyle, K. J.; Mayhew, C. A.; Tuckett, R. P. J. Phys. Chem. A 1998, 102, 3219.
15. Inghram, M. G.; Hanson, G. R.; Stockbauer, R. Int. J. Mass Spectrom. Ion Phys. 1980, 33, 253.
16. Simm, I. G.; Danby, C. J.; Eland, J. H. D. Int. J. Mass Spectrom. Ion Phys. 1974, 14, 285.
17. Eland, J. H. D.; Frey, R.; Kuestler, A.; Schulte, H.; Brehm, B. Int. J. Mass Spectrom. Ion Phys. 1976, 22, 155.
18. Weitzel, K.-M.; Güthe, F.; Mähnert, J.; Locht, R.; Baumgärtel, H. Chem. Phys. 1995, 201, 287.
19. Brehm, B.; Frey, R.; Kuestler, A.; Eland, J. H. D. Int. J. Mass Spectrom. Ion Phys. 1974, 13, 251.
20. Levine, R. D.; Kinsey, J. L. In Atom-Molecule Collision Theory. A Guide for the Experimentalist; Bernstein, R. B., Ed.; Plenum: New York, 1979.
21. Levine, R. D.; Bernstein, R. B. In Dynamics of Molecular Collisions; Miller, W. H., Ed.; Plenum: New York, 1976; Part B.
22. Lias, S. G.; Bartmess, J. E.; Liebman, J. F.; Holmes, J. L.; Levin, R. D.; Mallard, W. G. J. Phys. Chem. Ref. Data 1988, 17 (1).
23. Urbain, P.; Leyh, B.; Remacle, F.; Lorquet, A. J.; Flammang, R.; Lorquet, J. C. J. Chem. Phys. 1999, 110, 2911.
24. Fati, D.; Lorquet, A. J.; Locht, R.; Lorquet, J. C.; Leyh, B. J. Phys. Chem. A 2004, 108, 9777.
25. Locht, R. Int. J. Mass Spectrom. Ion Processes 1995, 148, L17.
26. Servais, C.; Locht, R. Chem. Phys. Lett. 1995, 236, 96.
27. Hoxha, A.; Leyh, B.; Locht, R. Rapid Commun. Mass Spectrom. 1999, 13, 275.
28. Gridelet, E.; Locht, R.; Lorquet, A. J.; Lorquet, J. C.; Leyh, B. Int. J. Mass Spectrom. 2003, 228, 389.
29. Barber, M.; Elliot, R. M. Proceedings of the 12th Annual Conference on Mass Spectrometry, Montreal, ASTM E-14, 1964.
30. Jennings, K. R. J. Chem. Phys. 1965, 43, 4176.
31. Barber, M.; Green, B. N.; Wolstenholme, W. A.; Jennings, K. R. Adv. Mass Spectrom. 1968, 4, 89.
32. Holmes, J. L.; Osborne, A. D. Int. J. Mass Spectrom. Ion Phys. 1977, 23, 189.
33. Cooks, R. G.; Beynon, J. H.; Caprioli, R. M.; Lester, G. R. Metastable Ions; Elsevier: Amsterdam, The Netherlands, 1973.
34. Beynon, J. H.; Fontaine, A. E.; Lester, G. R. Int. J. Mass Spectrom. Ion Phys. 1972, 8, 341.
35. Szilagyi, Z.; Vekey, K. Eur. Mass Spectrom. 1995, 1, 507.
36. Rumpf, B. A.; Derrick, P. J. Int. J. Mass Spectrom. Ion Processes 1988, 82, 239.
37. Yeh, I. C.; Kim, M. S. Rapid Commun. Mass Spectrom. 1992, 6, 115.
38. Güthe, F.; Baumgärtel, H.; Weitzel, K. M. J. Phys. Chem. A 2001, 105, 7508.
39. Baer, T.; Hase, W. L. Unimolecular Reaction Dynamics. Theory and Experiments; Oxford University Press: New York, 1996.
40. Levine, R. D. Adv. Chem. Phys. 1981, 47, 239.
41. Levine, R. D.; Bernstein, R. B. Molecular Reaction Dynamics and Chemical Reactivity; Oxford University: New York, 1987.
42. Alhassid, Y.; Levine, R. D. J. Chem. Phys. 1977, 67, 4321.
43. Urbain, P.; Remade, F.; Leyh, B.; Lorquet, J. C. J. Phys. Chem. 1996, 100, 8003.
44. Urbain, P.; Leyh, B.; Remacle, F.; Lorquet, J. C. Int. J. Mass Spectrom. 1999, 185-187, 155.
45. Hoxha, A.; Locht, R.; Lorquet, A. J.; Lorquet, J. C.; Leyh, B. J. Chem. Phys. 1999, 111, 9259.
46. Iachello, F.; Levine, R. D. Europhys. Lett. 1987, 4, 389.
47. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A., Jr.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Baboul, A. G.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Andres, J. L.; Gonzalez, C.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98, revision A.7; Gaussian, Inc.: Pittsburgh, PA, 1998.
48. Jensen, F. Introduction to computational chemistry; Wiley: New York, 1999.
49. Scott, A. P.; Radom, L. J. Phys. Chem. 1996, 100, 16502.
50. Gilbert, R. G.; Smith, S. C. Theory of Unimolecular and Recombination Reactions; Blackwell Scientific Publications: Oxford, U.K., 1990.
51. Lee, T. G.; Park, S. C.; Kim, M. S. J. Chem. Phys. 1996, 104, 4517.
52. Choi, T. H.; Park, S. T.; Kim, M. S. J. Chem. Phys. 2001, 114, 6051.
53. Zamir, E.; Levine, R. D. Chem. Phys. 1980, 52, 253.
54. Lorquet, J. C. In The Structure, Energetics and Dynamics of Organic Ions; Baer, T., Ng, C. Y., Powis, I., Eds.; Wiley: Chichester, U.K., 1996; p 167.
55. Galloy, C.; Lecomte, C.; Lorquet, J. C. J. Chem. Phys. 1982, 77, 4522.
56. Lane, I. C.; Powis, I. J. Phys. Chem. 1993, 97, 5803.
57. Hatherly, P. A.; Smith, D. M.; Tuckett, R. P. Z. Phys. Chem. (Muenchen) 1996, 195, 97.
58. Gentry, W. R.; Giese, C. F. J. Chem. Phys. 1977, 67, 2355.
59. Locht, R.; Leyh, B. Unpublished results.
60. Bieri, G.; Von Niessen, W.; Aasbrink, L.; Svensson, A. Chem. Phys. 1981, 60, 61.
61. (a) Hegarty, D.; Robb, M. A. Mol. Phys. 1979, 38, 1795.
62. (b) Eade, R. H. E.; Robb, M. A. Chem. Phys. Lett. 1981, 83, 362.
63. (c) Bernardi, F.; Bottini, A.; McDougall, J. J. W.; Robb, M. A.; Schlegel, H. B. Faraday Symp. Chem. Soc. 1984, 19, 137.
64. Nakamura, H. Nonadiabatic Transition. Concepts, Basic Theories and Applications; World Scientific: Singapore, 2002.
65. (a) Yarkony, D. R. In Conical Intersections. Electronic Structure, Dynamics and Spectroscopy; Domcke, W., Yarkony, D. R., Koppel, H., Eds.; Advanced Series in Chemical Physics; World Scientific: Singapore, 2004; p 129.
66. (b) Koppel, H. In Conical Intersections. Electronic Structure, Dynamics and Spectroscopy; Domcke, W., Yarkony, D. R., Koppel, H., Eds.; Advanced Series in Chemical Physics; World Scientific: Singapore, 2004; p 175.
67. Lorquet, J. C.; Leyh, B. Nonadiabatic reactions. In The Encyclopedia of Mass Spectrometry; Armentrout, P. B., Ed.; Elsevier: Amsterdam, The Netherlands, 2003; Vol. 1, p 33.
68. Leyh, B.; Lorquet, J. C. Kinetic energy release distributions in mass spectrometry. In The Encyclopedia of Mass Spectrometry; Armentrout, P. B., Ed.; Elsevier: Amsterdam, The Netherlands, 2003; Vol. 1, p 17.
69. Forst W. Unimolecular reactions. A concise introduction; Cambridge University Press: Cambridge, U.K., 2003.
70. Chesnavich, W. J.; Bowers, M. T. J. Chem. Phys. 1977, 66, 2306.
71. Gridelet, E.; Lorquet, J. C.; Leyh, B. J. Chem. Phys. 2005, 122, 094106/1-14.
72. Miller, T. M.; Bederson, B. Adv. At. Mol. Phys. 1977, 13, 1.