Proton transfer in the [phenol-NH3]+ system: An experimental and ab initio study

Journal of Chemical Physics

Volumn 112, Issue 13, 2000, Pages 5717-5721

  Kim, Ho Tae ^a   Green, Richard J ^a   Qian, Jun ^a   Anderson, Scott L ^a  

^a UNIVERSITY OF UTAH   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000118019     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.481146     Document Type: Article

References (31)

1. D. Solgadi, C. Jouvet, and A. Tramer, J. Phys. Chem. 92, 3315 (1988).
2. C. Jouvet, C. Lardeux-Dedonder, M. Richared-Viard, D. Solgadi, and A. Tramer, J. Phys. Chem. 94, 5041 (1990).
3. J. Steadman and J. A. Syage, J. Chem. Phys. 92, 4630 (1990).
4. J. A. Syage and J. Steadman, J. Chem. Phys. 95, 2497 (1991).
5. J. Steadman and J. A. Syage, J. Am. Chem. Soc. 113, 6786 (1991).
6. N. Mikami, A. Okabe, and I. Suzuki, J. Phys. Chem. 92, 1858 (1988).
7. N. Mikami, T. Sasaki, and S. Sato, Chem. Phys. Lett. 180, 431 (1991).
8. N. Mikami, S. Sato, and M. Ishigaki, Chem. Phys. Lett. 202, 431 (1993).
9. M. F. Heineman, D. F. Kelley, and E. R. Bernstein, J. Chem. Phys. 99, 4533 (1993).
10. K. Kleinermanns, M. Gerhards, and M. Schmitt, Ber. Bunsenges. Phys. Chem. 101, 1785 (1997).
11. S. G. Lias, J. F. Liebman, and R. D. Levin, J. Phys. Chem. Ref. Data 13, 695 (1984).
12. S. G. Lias, J. E. Bartmess, J. F. Liebman, J. L. Holmes, and R. D. Levin, J. Phys. Chem. Ref. Data 17, Suppl. 1 (1988).
13. M. Yi and S. Scheiner, Chem. Phys. Lett. 262, 567 (1996).
14. Y.-h. Chiu, H. Fu, J.-t. Huang, and S. L. Anderson, J. Chem. Phys. 102, 1199 (1995).
15. Y.-h. Chiu, H. Fu, J.-t. Huang, and S. L. Anderson, J. Chem. Phys. 105, 3089 (1996).
16. L. Zhu and P. Johnson, J. Chem. Phys. 94, 5769 (1991).
17. M. J. Frisch, G. W. Tucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgometry, 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. Peterson, 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. 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, and J. A. Pople, GAUSSIAN 98 (Gaussian, Inc., Pittsburgh, PA, 1998).
18. L. Zhu and W. L. Hase Quant. Chem. Prog. Exchange, QCPE 644.
19. J. Troe, Chem. Phys. Lett. 122, 425 (1985).
20. J. B. Foresman and A. Frisch, Exploring Chemistry with Electronic Structure Methods, 2nd ed. (Gaussian, Pittsburgh, PA, 1993).
21. L. Hanley, S. A. Ruatta, and S. L. Anderson, J. Chem. Phys. 87, 260 (1987).
22. L. Hanley, J. L. Whitten, and S. L. Anderson, J. Phys. Chem. 94, 2218 (1990).
23. M. Sowa-Resat, P. A. Hintz, and S. L. Anderson, J. Phys. Chem. 99, 10736 (1995).
24. E. P. Hunter and S. G. Lias, J. Phys. Chem. Ref. Data (to be published).
25. O. Dopfer and K. Müller-Dethlefs, J. Phys. Chem. 101, 8508 (1994).
26. A. J. Colussi, F. Zabel, and S. W. Benson, Int. J. Chem. Kinet. 9, 161 (1977).
27. J. D. Cox, Pure Appl. Chem. 2, 125 (1961).
28. J. D. Cox, D. D. Wagman, and V. A. Medvedev, CODATA Key Values for Thermodynamics (Hemisphere, New York, 1984).
29. S. G. Lias, in NIST Standard Reference Database Number 69, edited by W. G. Mallard and P. J. Linstrom (National Institute of Standards and Technology, Gaithersburg, MD, 1998), http://webbook.nist.gov.
30. W. Tsang, in Energetics of Organic Free Radicals, edited by J. A. M. Simoes, A. Greenberg, and J. F. Liebman (Blackie Academic and Professional, London, 1996), p. 22.
31. O. Dopfer, G. Reiser, K. Müller-Dethlefs, E. W. Schlag, and S. D. Colson, J. Chem. Phys. 101, 974 (1994).