Isomerization and Dissociation in Competition: The Two-Component Dissociation Rates of Methyl Propionate Ions

Journal of Physical Chemistry A

Volumn 103, Issue 9, 1999, Pages 1221-1227

  Mazyar, Oleg A ^a   Baer, Tomas ^a  

^a University of North Carolina at Chapel Hill   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001417160     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp984322p     Document Type: Article

References (33)

1. Mazyar, O. A.; Baer, T. J. Phys. Chem. A 1998, 102, 1682.
2. Mazyar, O. A.; Mayer, P. M.; Baer, T. Int. J. Mass Spectrom. Ion. Processes 1997, 167/168, 389.
3. Baer, T.; Mazyar, O. A.; Keister, J. W.; Mayer, P. M. Ber. Bunsen- Ges. Phys. Chem. 1997, 101, 478.
4. Holmes, J. L.; Hop, C. E. C. A.; Terlouw, J. K. Org. Mass Spectrom. 1986, 21, 776.
5. Burgers, P. C.; Holmes, J. L.; Hop, C. E. C. A.; Terlouw, J. K. Org. Mass Spectrom. 1986, 21, 549.
6. Laderoute, K. Ph.D. Thesis, University of Toronto, 1984.
7. Pakarinen, J. M. H.; Vainiotalo, P.; Stumpf, C. L.; Leeck, D. T.; Chou, P. K.; Kenttämaa, H. I. J. Am. Soc. Mass Spectrom. 1996, 7, 482.
8. Baer, T.; Hase, W. L. Unimolecular Reaction Dynamics: Theory and Experiments; Oxford University Press: New York, 1996.
9. Yates, B. F.; Radom, L. J. Am. Chem. Soc. 1987, 109, 2910.
10. Traeger, J. C. Org. Mass Spectrom. 1985, 20, 223.
11. Leeck, D. T.; Stirk, K. M.; Zeller, L. C.; Kiminkinen, L. K. M.; Castro, L. M.; Vainiotalo, P.; Kenttämaa, H. I. J. Am. Chem. Soc. 1994, 116, 3028.
12. Holmes, J. L.; Lossing, F. P. J. Am. Chem. Soc. 1980, 102, 1591.
13. Mazyar, O. A.; Baer, T. J. Am. Soc. Mass Spectrom., in press.
14. Baer, T.; Booze, J. A.; Weitzel, K. M. In Vacuum ultraviolet photoionization and photodissociation of molecules and clusters; Ng, C. Y., Ed.; World Scientific: Singapore, 1991: p 259.
15. Baer, T.; Lafleur, R.; Mazyar, O. In Energetics of Stable and Reactive Intermediates: Minas da Piedade, M., Ed.; Kluwer Academic Publishers: Dordrecht, Netherlands, in press.
16. Curtiss, L. A.; Raghavachari, K.; Trucks, G. W.; Pople, J. A. J. Chem. Phys. 1991, 94, 7221.
17. Weitzel, K. M.; Booze, J. A.; Baer, T. Chem. Phys. 1991, 150, 263.
18. Baer, T.; Peatman, W. B.; Schlag, E. W. Chem. Phys. Lett. 1969, 243.
19. Spohr, R.; Guyon, P. M.; Chupka, W. A.; Berkowitz, J. Rev. Sci. Iustrum. 1971, 42, 1872.
20. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T.; Petersson, G. A.; Montgomery, J. A.; Raghavachari, K.; Al-Laham, M. A.; Zakrzewski, V. G.; Ortiz, J. V.; Foresman, J. B.; Cioslowski, J.; Stefanov, B. B.; Nanayakkara, A.; Challacombe, M.; Peng, C. Y.; Ayala, P. Y.; Chen, W.; Wong, M. W.; Andres, J. L.; Replogle, E. S.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Binkley, J. S.; Defrees, D. L.; Baker, J.; Stewart, J. P.; Head- Gordon, M.; Gonzalez, C.; Pople, J. P. Gaussian 94, revision D. 1; Gaussian, Inc.: Pittsburgh, PA, 1995.
21. Pople, J. A.; Scott, A. P.; Wong, M. W.; Radom, L. Isr. J. Chem. 1993, 33, 345.
22. Scott, A. P.; Radom, L. J. Phys. Chem. 1996, 100, 16502.
23. Heinrich, N.; Schmidt, J.; Schwarz, H.; Apeloig, Y. J. Am. Chem. Soc. 1987, 109, 1317.
24. Mazyar, O. A.; Baer, T. Int. J. Mass Spectrom. Ion. Proc., in press.
25. Miller, W. H. J. Am. Chem. Soc. 1979, 101, 6810.
26. Eckart, C. Phys. Rev. 1930, 35, 1303.
27. Keister, J. W.; Tomperi, P.; Baer, T. Int. J. Mass Spectrom. Ion. Processes 1997, 171, 243.
28. Truhlar, D. G.; Garrett, B. C. Acc. Chem. Res. 1980, 13, 440.
29. Hase, W. L. J. Chem. Phys. 1976, 64, 2442.
30. PCMODEL for Windows; Serena Software: Bloomington, IN, 1994. The MMX force field is an extension of N. L. Allinger's MM2 (QCPE- 395, 1977) force field and includes pi routines from his MMPI (QCPE- 318). These are available from the Quantum Chemistry Program Exchange, Creative Arts Building 181, 840 State Highway 46 Bypass, Bloomington, IN 47405, Programs 395 and 318. Changes were made by J. J. Gajewski and K. E. Gilbert, 1994.
31. Lias, S. G.; Bartmess, J. E.; Liebman, J. F.; Holmes, J. L.; Levin, R. D.; Mallard, W. G. Gas Phase Ion and Neutral Thermochemistry, J. Phys. Chem. Ref. Data; NSRDS: U.S. Government Printing Office: Washington, DC, 1988; Vol. 17, suppl. 1.
32. Foster, S. C.; Misra, P.; Lin, T.-Y.; Damo, C. P.; Carter, C. C.; Miller, T. A. J. Phys. Chem. 1988, 92, 5914.
33. Jacox, M. E. J. Phys. Chem. Ref. Data. 1990, 19, 1387.