Examination of sputtered ion mechanisms leading to the formation of C7H7+ during surface induced dissociation (SID) tandem mass spectrometry (MS/MS) of benzene molecular cations

Journal of the American Chemical Society

Volumn 118, Issue 35, 1996, Pages 8375-8380

  Hayward, Mark J ^a,b   Park, Frederick D S ^a   Phelan, Lynn M ^a   Bernasek, Steven L ^a   Somogyi, Árpád ^c,d   Wysocki, Vicki H ^c,d  

^a PRINCETON UNIVERSITY   (United States)

^b PFIZER INC   (United States)

^c VIRGINIA COMMONWEALTH UNIVERSITY   (United States)

^d University of Arizona   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BENZENE;

ARTICLE; MASS SPECTROMETRY; MOLECULAR DYNAMICS; TECHNIQUE; THEORY; THERMODYNAMICS;

EID: 0029840670     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja960332x     Document Type: Article

References (24)

1. Winograd, N. Anal. Chem. 1993, 65, 622A.
2. Benninghoven, A.; Hagenhoff, B.; Nieuis, E. Anal. Chem. 1993, 65, 630A.
3. Cooks, R. G.; Ast, T.; Mabud, Md. A. Int. J. Mass Spectrom. Ion Processes 1990, 100, 209.
4. Dongre, A. R.; Somogyi, A.; Wysocki, V. H. J. Mass Spectrom. 1996, 31, 339.
5. Ast, T.; Mabud, Md. A.; Cooks, R. G. Int. J. Mass Spectrom. Ion Processes 1988, 82, 131.
6. Cooks, R. G.; Ast, T.; Pradeep, T.; Wysocki, V. H. Acc. Chem. Res. 1994, 27, 316.
7. Hayward, M. J.; Mabud, Md. A.; Cooks, R. G. J. Am. Chem. Soc. 1988, 110, 1343.
8. Winger, B. E.; Julian, R. K., Jr.; Cooks, R. G.; Chidsey, C. E. D. J. Am. Chem. Soc. 1991, 113, 8967.
9. Wysocki, V. H.; Jones, J. L.; Ding, J. M. J. Am. Chem. Soc. 1991, 113, 8969.
10. Somogyi, A.; Kane, T. E.; Ding, J. M.; Wysocki, V. H. J. Am. Chem. Soc. 1993, 115, 5275.
11. Hayward, M. J.; Park, F. D. S.; Manzella, L. M.; Bernasek, S. L. Int. J. Mass Spectrom. Ion Processes 1995, 148, 25.
12. Eley, D. D.; Rideal, E. K. Nature 1940, 146, 401.
13. Williams, E. R.; Jones, G. C.; Fang, L.; Zare, R. N.; Garrison, B. J.; Brenner, D. W. J. Am. Chem. Soc. 1992, 114, 3207.
14. Harrison, A. G. Chemical Ionization Mass Spectrometry; CRC Press: Boca Ratan, FL, 1983.
15. Wysocki, V. H.; Ding, J.-M.; Jones, J. L.; Callahan, J. H.; King, F. L. J. Am. Soc. Mass Spectrom. 1992, 3, 27-32.
16. Schmidt, M. W.; Baldridge, K. K.; Boatz, J. A.; Elbert, S. T.; Gordon, M. S.; Jensen, J. H.; Koseki, S.; Matsunaga, N.; Nguyen, K. A.; Su, S. J.; Windus, T. L.; Dupuis, M.; Montgomery, J. A., Jr. J. Comput. Chem. 1993, 14, 1347-1363. Program Package GAMESS, Version: April, 1994.
17. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Wong, M. W.; Foresman, J. B.; Robb, M. A.; Head-Gordon, M.; Replogle, E. S.; Gomperts, R.; Andres, J. L.; Ragavachari, K.; Binkley, J. S.; Gonzalez, C.; Martin, R. L.; Fox, D. J.; Defrees, D. J.; Baker, J.; Stewart, J. J. P.; Pople, J. A. Gaussian 92/DFT, Revision F.4; Gaussian, Inc.: Pittsburg, PA, 1993.
18. 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, Suppl. 1.
19. Kane, T. E.; Somogyi, A.; Wysocki, V. H. Org. Mass Spectrom. 1993, 28, 1665.
20. DeKrey, M. J.; Kenttama, H. I.; Wysocki, V. H.; Cooks, R. G. Org. Mass Spectrom. 1986, 21, 193.
21. Burroughs, J. A.; Wainhaus, S. B.; Hanley, L. J. Phys. Chem. 1994, 98, 10913.
22. Burroughs, J. A.; Wainhaus, S. B.; Hanley, L. J. Phys. Chem. 1995, 103, 6706.
23. + isomers also may exist and/or be formed during the sputtering process. In this work, we only considered the most stable isomer, the allyl cation; see, e.g.: Aue, D. H.; Davidson, W. R.; Bowers, M. T. J. Am. Chem. Soc. 1976, 98, 6700.
24. Chen, G.; Hoke, S. H.; Cooks, R. G. Int. J. Mass Spectrom. 1994, 139, 87.