A DFT study on the reaction of O- with CH3F

Journal of Molecular Structure: THEOCHEM

Volumn 634, Issue 1-3, 2003, Pages 31-39

  Yamamoto, Mitsuo ^a   Yamashita, Koichi ^a   Sadakata, Masayoshi ^a  

^a UNIVERSITY OF TOKYO   (Japan)

Author keywords

DFT theory; Hydrofluorocarbons; Oxide anion; Reactivity

Indexed keywords

FLUORINATED HYDROCARBON; OXYGEN;

ARTICLE; CALCULATION; CHEMICAL MODIFICATION; COMPLEX FORMATION; MOLECULAR INTERACTION; PHASE TRANSITION; REACTION ANALYSIS;

EID: 0041876380     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(03)00282-3     Document Type: Article

References (30)

1. E.E. Ferguson, F.C. Fehsenfield, D.L. Albritton, in: M.T. Bowers (Ed.), Gas-Phase ion Chemistry, 1, Academies Press, New York, 1979, Chapter 2.
2. R.P. Wayne, Chemistry of Atmosphere, second ed., Clarendon Press, Oxford, 1991, pp. 6, Chapter 6.
3. K.M. Ervin, P.B. Armentrout, J. Chem. Phys. 83 (1985) 166.
4. A.A. Viggiano, R.A. Morris, F. Dale, J.F. Paulson, J. Phys. Chem. 93 (1990) 1149.
5. R.A. Morris, A.A. Viggiano, J.F. Paulson, Int. Rev. Phys. Chem. 15 (1996) 183.
6. R.A. Morris, J. Chem. Phys. 97 (1992) 2372.
7. A. Fernandez, A. Fontijn, J. Phys. Chem. A 105 (2001) 8196.
8. J. Shu, J.J. Lin, Y.T. Lee, X. Yang, J. Chem. Phys. 113 (2000) 9678.
9. B. Wang, H. Hou, Y. Gu, J. Phys. Chem. A 103 (1999) 9049.
10. M. Schwartz, P. Marshall, R.J. Berry, C.J. Ehlers, G.A. Petersson, J. Phys. Chem. A 102 (1998) 10074.
11. A.G. Lafont, J.M. Lluch, J.E. Garcia, J. Phys. Chem. A 105 (2001) 10553.
12. E. Rosenman, M.L. Mckee, J. Am. Chem. Soc. 119 (1997) 9033.
13. I.S. Ignatyev, X. Fu, R. Liu, Chem. Phys. Lett. 320 (2000) 469.
14. B. Wang, H. Hou, Y. Gu, Chem. Phys. 247 (1999) 201.
15. X. Zhou, S. Yu, J. Li, Z. Sheng, L. Zhang, X. Ma, Chem. Phys. Lett. 339 (2001) 117.
16. J.E. Garcia, E.L. Coitino, A.G. Lafont, J.M. Llich, J. Phys. Chem. A 102 (1998) 10715.
17. E.P.F. Lee, J.M. Dyke, C.A. Mayhew, J. Phys. Chem. A 102 (1998) 8349.
18. H. Tachikawa, M. Igarashi, Chem. Phys. Lett. 303 (1999) 81.
19. L.A. Angel, S.P. Garcia, K.M. Ervin, J. Am. Chem. Soc. 124 (2002) 336.
20. Z. Havlas, A. Merkel, J.K.R. Janoschek, R. Zahradník, Chem. Phys. 127 (1988) 53.
21. L. Sun, K. Song, W.L. Hase, Science 296 (2002) 875.
22. R.A. Morris, T.M. Miller, A.A. Viggiano, J.F. Paulson, J. Geophys. Res. 100 (1995) 1287.
23. R.A. Morris, A.A. Viggiano, T.M. Miller, J.V. Seeley, S.T. Arnold, J.F. Paulson, J. Phys. Chem. 100 (1996) 10641.
24. R Peverall, R.A. Kennedy, C.A. Mayhew, P. Watts, Int. J. Mass Spectrom. Ion Processes 171 (1997) 51.
25. E.P.F. Lee, J.M. Dyke, Mol. Phys. 88 (1996) 143.
26. M. Yamamoto, K. Yamashita, M. Sadakata, Bull. Chem. Soc. Jpn. 75 (2002) 1483.
27. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.C. Burant, S. Dapprich, J.M. Millam, A.D. Daniels, K.N. Kudin, M.C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G.A. Petersson, P.Y. Ayala, Q. Cui, K. Morokuma, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J. Cioslowski, J. V. Ortiz, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R.L. Martin, D.J. Fox, T. Keith, M.A. Ai-Laham, C.Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, J.L. Andres, M. Head-Gordon, E.S. Replogle, J.A. Pople, Gaussian, Inc., Pittsburgh, PA, 1998.
28. http://webbook.nist.gov/chemistry/.
29. L.A. Angel, K.M. Ervin, J. Phys. Chem. A 105 (2001) 4042.
30. J. Ianger, S. Matejcik, E. Illenberger, Phys. Chem. Chem. Phys. 2 (2000) 1001.