Fragmentation and deformation mechanism of glycine isomers in gas phase: Investigations of charge effect

Journal of Chemical Physics

Volumn 120, Issue 24, 2004, Pages 11600-11614

  Ai, Hongqi ^a   Bu, Yuxiang ^a,b   Li, Ping ^a   Li, Zhiqiang ^a  

^a SHANDONG UNIVERSITY   (China)

^b QUFU NORMAL UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; AMINO ACIDS; DEFORMATION; DISSOCIATION; GROUND STATE; HYDRATION; MASS SPECTROMETRY; OPTIMIZATION; PH EFFECTS; SOLUTIONS;

ELECTRON SPINS; GLYCINE ISOMERS; ION-BOUND DERIVATIVES; PROTON TRANSFER;

ISOMERS;

GLYCINE; PROTON; WATER;

ALGORITHM; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; ENERGY TRANSFER; GAS; HYDROGEN BOND; ISOMERISM; MASS SPECTROMETRY; THERMODYNAMICS;

ALGORITHMS; ENERGY TRANSFER; GASES; GLYCINE; HYDROGEN BONDING; ISOMERISM; MASS SPECTROMETRY; MODELS, MOLECULAR; PROTONS; THERMODYNAMICS; WATER;

EID: 3142740930     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1697373     Document Type: Article

References (53)

1. See, for example: (a) T. N. Truong and E. V. Stefanovich, J. Chem. Phys. 103, 3709 (1995); (b) M. Nagacha, N. Okuyama-Yoshida, and T. Yamabe, J. Phys. Chem. A 102, 8202 (1998).
2. See, for example: (a) T. N. Truong and E. V. Stefanovich, J. Chem. Phys. 103, 3709 (1995); (b) M. Nagacha, N. Okuyama-Yoshida, and T. Yamabe, J. Phys. Chem. A 102, 8202 (1998).
3. (a) R. D. Suenram and F. J. Lovas, Mol. Spectrum. 72, 372 (1978);
4. (b) K. Iijima, K. Tanaka. and S. Onuma, J. Mol. Struct. 246, 257 (1991);
5. (c) M. J. Lockem and R. T. McIver, Jr., J. Am. Chem. Soc. 105, 4226 (1983).
6. (a) E. F. Strittmatter, R. L. Wong, and E. R. Williams, J. Phys. Chem. (in press);
7. (b) S. Hoyau and G. Ohanessian, Chem.-Eur. J. 4, 1561 (1998).
8. L. Rodriguez-Santiago, M. Sodupe, and J. Tortajada, J. Phys. Chem. A 105, 5340 (2001).
9. (a) S. Hoyau and G. Ohanessian, J. Am. Chem. Soc. 119, 2016 (1997);
10. (b) J. Bertran, L. Rodriguez-Santiago, and M. Sodupe, J. Phys. Chem. B 103, 2310 (1999).
11. (a) E. F. Strittmatter, A. S. Lemoff, and E. R. Williams, J. Phys. Chem. A 104, 9793 (2000);
12. (b) F. Rogalewicz, G. Ohanessian, and N. Gresh, J. Comput. Chem. 21, 963 (2000);
13. H. Ai, Y. Bu, and Z. Chen, J. Chem. Phys. 118, 1761 (2003).
14. (a) M. S. Gordon and J. H. Jensen, Acc. Chem. Res. 29, 536 (1996);
15. (b) P. I. Nagy and B. Noszal, J. Phys. Chem. A104, 6834 (2000);
16. M. Ramek and P. I. Nagy, ibid. 104, 6844 (2000).
17. (a) T. Wyttenbach, J. E. Bushnell, and M. T. Bowers, J. Am. Chem. Soc. 120, 5098 (1998);
18. (b) T. Wyttenbach, W. Matthial, and M. T. Bowers, ibid. 122, 3458 (2000); Int. J. Mass. Spectrom. 183, 243 (1999).
19. (b) T. Wyttenbach, W. Matthial, and M. T. Bowers, ibid. 122, 3458 (2000); Int. J. Mass. Spectrom. 183, 243 (1999).
20. J. H. Jensen and M. S. Gordon, J. Am. Chem. Soc. 117, 8159 (1995).
21. M. Gutowski, P. Skurski, and J. Simons, J. Am. Chem. Soc. 122, 10159 (2000).
22. L. Rodriguez-Santiago, M. Sodupe, A. Oliva, and J. Bertran, J. Phys. Chem. A 104, 1256 (2000).
23. A. G. Császár, J. Am. Chem. Soc. 114, 9568 (1992).
24. (a) K. Aflatooni, B. Hitt, G. A. Gallup, and P. D. Burrow, J. Chem. Phys. 115, 6489 (2001);
25. (b) K. Aflatooni, G. A. Gallup, and P. D. Burrow, J. Phys. Chem. A 102, 6205 (1998).
26. M. J. Polce and C. Wesdemiotis, J. Mass Spectrom. 35, 251 (2000).
27. (a) N. A. Kruger, R. A. Zubarev, D. M. Horn, and F. W. McLafferty, Int. J. Mass. Spectrom. 185/186/187, 787 (1999);
28. (b) N. A. Kruger, R. A. Zubarev, B. K. Carpenter, N. L. Kelleher, D. M. Horn, and F. W. McLafferty, ibid. 182/183, 1 (1999).
29. M. Bonifacic, I. Stefanic, G. L. Hug, A. Armstrong, and K. D. Asmus, J. Am. Chem. Soc. 120, 9930 (1998).
30. D. Yu, A. Rauk, and D. A Armstrong, J. Am. Chem. Soc. 117, 1780 (1995).
31. S. Simon, M. Sodupe, and J. Bertran J. Phys. Chem. A 106, 5697 (2002).
32. (a) A. D. Becke, J. Chem. Phys. 98, 5648 (1993);
33. (b) G. A Petersson and M. A. Al-Laham, ibid. 94, 6081 (1991);
34. G. A. Petersson, A. Bennett, T. G. Tensfeldt, M. A Al-Laham, W. A. Shirley, and J. Mantzaris, ibid. 89, 2193 (1988).
35. (a) A. J. H. Watchers, J. Chem. Phys. 69, 3833 (1978);
36. (b) P. J. Hay, ibid. 66, 4377 (1977);
37. K. Raghavachari and G. W. Trucks, ibid. 91, 1062 (1989).
38. A. D. Becke, J. Chem. Phys. 98, 1372 (1993).
39. R. J. Bartlett, Annu. Rev. Phys. Chem. 32, 359 (1981).
40. K. Raghavachari, G. W. Trucks, J. A. Pople, and M. Head-Gordon, Chem. Phys. Lett. 57, 479 (1989).
41. D. T. Nguyen, A. C. Scheimer, J. W. Andzelm, S. Sirois, D. R. Salahub, and A. T. Hagler, J. Comput. Chem. 18, 1609 (1997).
42. M. Gutowski and P. Skurski, Recent Res. Dev. Phys. Chem. 3, 245 (1999).
43. (a) M. J. Frisch, G. W. Trucks, H. B. Schlegel et al., GAUSSIAN 94, Revision D.l, Gaussian, Inc., Pittsburgh, PA, 1994;
44. (b) M. J. Frisch, G. W. Trucks, H. B. Schlegel et al., GAUSSIAN 98, Revision A.3, Gaussian, Inc., Pittsburgh, PA, 1998.
45. mGlyIIIn (Tables S1-S6), obtained at the B3LYP/6-31G* level. A direct link to this document may be found in the online article's HTML reference section. The document may also be reached via the EPAPS homepage (http://www.aip.org/pubservs/epaps.html) or from ftp.aip.org in the directory /epaps/. See the EPAPS homepage for more information.
46. F. Jensen, J. Am. Chem. Soc. 114, 9533 (1992).
47. K. Zhang and A. Chung-Phillips, J. Comput. Chem. 19, 1862 (1998).
48. H. Ai, Y. Bu, and K. Han, J. Chem. Phys. 117, 7593 (2002).
49. P. H. Cannington and N. S. Ham, J. Electron Spectrosc. Relat. Phenom. 32, 139 (1983).
50. D. Yu, P. A. Armstrong, and A. Rauk, Can, J. Chem. 70, 1762 (1992).
51. S. G. Lias, J. E. Bartmess, J. F. Liebman, J. L. Holmes, R. D. Levin, and W. G. Mallard, J. Phys. Chem. Ref. Data Suppl. 1 17, 1 (1988).
52. J. L. Holmes, F. P. Lossing, and P. M. Mayer, J. Am. Chem. Soc. 113, 9723 (1991).
53. S. Gohike, A. Rosa, and E. Illenberger, J. Chem. Phys. 116, 10164 (2002).