Ab initio study of the isomerization and photodissociation of the C 3H 6O +• cation radicals

International Journal of Mass Spectrometry

Volumn 238, Issue 1, 2004, Pages 1-15

  Mishima, K ^a   Hayashi, M ^b   Lin, S H ^a  

^a INSTITUTE OF ATOMIC AND MOLECULAR SCIENCES   (Taiwan)

^b NATIONAL TAIWAN UNIVERSITY   (Taiwan)

Author keywords

Ab initio calculation; C 3H 6O + cation radical; Isomerization; Photodissociation

Indexed keywords

ACETONE; CARBON; HYDROGEN; OXYGEN; RADICAL;

AB INITIO CALCULATION; ARTICLE; DISSOCIATION; ENERGY; ISOMER; ISOMERIZATION; LIGHT; MOLECULAR BIOLOGY; WAVEFORM;

EID: 84862435684     PISSN: 13873806     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ijms.2004.08.003     Document Type: Article

References (52)

1. D.J. McAdoo, F.W. McLafferty, and J.S. Smith J. Am. Chem. Soc. 92 1970 6343
2. J.H. Beynon, R.M. Caprioli, and R.G. Cooks Org. Mass Spectrom. 9 1974 1
3. C.C. van de Sande, and F.W. McLafferty J. Am. Chem. Soc. 97 1975 4617
4. D.J. McAdoo, and D.N. Witiak J. Chem. Soc. Perkin 2 1981 770
5. C. Lifshitz Int. J. Mass Spectrom. Ion Phys. 43 1982 179
6. F.W. McLafferty, D.J. McAdoo, J.S. Smith, and R. Kornfeld J. Am. Chem. Soc. 93 1971 3720
7. J. Diekman, J.K. MacLeod, C. Djerassi, and J.D. Baldeschwieler J. Am. Chem. Soc. 91 1969 2069
8. I. Powis, and C.J. Danby Int. J. Mass Spectrom. Ion Phys. 32 1979 27
9. R. Stockbauer Int. J. Mass Spectrom. Ion Phys. 25 1977 89
10. D.J. McAdoo, and C.E. Hudson Int. J. Mass Spectrom. Ion Phys. 59 1984 77
11. G. Bouchoux, and Y. Hoppilliard Can. J. Chem. 60 1982 2107
12. A.J. Stace, and A.K. Shukla Int. J. Mass Spectrom. Ion Phys. 37 1981 35
13. W.J. van der Sande, D.P. deBruijn, J. Loss, P.G. Kistemaker, and S.A. McLuckey Int. J. Mass Spectrom. Ion. Phys. 67 1985 161
14. P.J. Derrick, and S. Hammerum Can. J. Chem. 64 1986 1957
15. R. Bombach, J.P. Stadelmann, and J. Vogt Chem. Phys. 72 1982 259
16. A.K. Shukla, K. Qian, S.L. Howard, S.G. Anderson, and J.H. Futrell Int. J. Mass Spectrom. Ion. Proc. 92 1989 147
17. C. Lifshitz J. Phys. Chem. 87 1983 2304
18. K. Qian, A. Shukla, S. Howard, S. Anderson, and J. Futrell J. Phys. Chem. 93 1989 3889
19. C. Majumder, O.D. Jayakumar, R.K. Vatsa, S.K. Kulshreshtha, and J.P. Mittal Chem. Phys. Lett. 304 1999 51
20. J.A. Nummela, and B.K. Carpenter J. Am. Chem. Soc. 124 2002 8512
21. C.S.T. Cant, C.J. Danby, and J.H.D. Eland J. Chem. Soc., Faraday Trans. II 71 1975 1015
22. D.M. Mintz, and T. Baer Int. Mass Spectrom. Ion Phys. 25 1977 39
23. I. Powis, and C.J. Danby Int. Mass Spectrom. Ion Phys. 32 1979 27
24. C. Lifshitz, and E. Tzidony Int. Mass Spectrom. Ion Phys. 39 1981 181
25. D.J. McAdoo Mass Spectrom. Rev. 19 2000 38
26. N. Heinrich, F. Louage, C. Lifshitz, and H. Schwarz J. Am. Chem. Soc. 110 1988 8183
27. M.D. Ceno, A.G. Lafont, J.M. Lluch, and J. Bertran Mol. Phys. 92 1997 393
28. W.M. Jackson, and D. Xu J. Chem. Phys. 113 2000 3651
29. L.V. Keldysh Sov. Phys. JETP 20 1965 1307
30. K. Mishima, M. Hayashi, J. Yi, S.H. Lin, H.L. Selzle, and E.W. Schlag Phys. Rev. A 66 2002 033401
31. K. Mishima, M. Hayashi, J. Yi, S.H. Lin, H.L. Selzle, and E.W. Schlag Phys. Rev. A 66 2002 053408
32. C. Wu, Y. Xiong, N. Ji, Y. He, Z. Gao, and F. Kong J. Phys. Chem. A 105 2001 374
33. G. Bouchoux, A. Luna, and J. Tortajada Int. J. Mass Spectrom. Ion. Proc. 167-168 1997 353
34. V.R. Bhardwaj, D.M. Rayner, D.M. Villeneuve, and P.B. Corkum Phys. Rev. Lett. 87 2001 253003
35. A.D. Becke J. Chem. Phys. 98 1993 5648
36. C. Lee, W. Yang, and R.G. Parr Phys. Rev. B 37 1988 785
37. A.M. Mebel, K. Morokuma, and M.C. Lin J. Chem. Phys. 103 1995 7414
38. L.A. Curtiss, K. Raghavachari, G.W. Trucks, and J.A. Pople J. Chem. Phys. 94 1991 7221
39. J.A. Pople, M. Head-Gordon, D.J. Fox, K. Raghavachari, and L.A. Curtiss J. Chem. Phys. 90 1989 5622
40. L.A. Curtiss, C. Jones, G.W. Trucks, K. Raghavachari, and J.A. Pople J. Chem. Phys. 93 1990 2537
41. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, V.G. Zakrzewski, J.A. Montgomery Jr., R.E. Stratmann, 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, A.G. Baboul, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P.M.W. Gill, B.G. Johnson, W. Chen, M.W. Wong, J.L. Andres, M. Head-Gordon, E.S. Replogle, J.A. Pople, Gaussian, Inc., Gaussian 98 (Revision A.9), Pittsburgh, PA, 1998.
42. F.W. McLafferty Interpretation of Mass Spectra 1980 University Science Books, Mill Valley California
43. W.J. Bouma, J.K. MacLeod, and L. Radom J. Am. Chem. Soc. 102 1980 2246
44. F. Turecek, and C.J. Cramer J. Am. Chem. Soc. 117 1995 12243 references therein
45. C.E. Hudson, D.J. McAdoo, and J.C. Traeger J. Am. Soc. Mass Spectrom. 13 2002 1235
46. A.V. Abramov, A.V. Vashchenko, and Yu. L. Frolov J. Mol. Struct. (Theochem.) 594 2002 101
47. C. Lifshitz Org. Mass Spectrom. 23 1988 303
48. F. Turecek, and F.W. McLafferty J. Am. Chem. Soc. 106 1984 2528
49. N. Heinrich, J. Schmidt, H. Schwarz, and Y. Apeloig J. Am. Chem. Soc. 109 1987 1317
50. T. Drewello, N. Heinrich, W.P.M. Maas, N.M.M. Nibbering, T. Weiske, and H. Schwarz J. Am. Chem. Soc. 109 1987 4810
51. N. Heinrich, and H. Schwarz Int. J. Mass Spectrom. Ion Proc. 79 1987 295
52. T. Giroldo, and J.M. Riveros J. Phys. Chem. A 106 2002 9930