Relationship between the electronic chemical potential and proton transfer barriers

Chemical Physics Letters

Volumn 269, Issue 5-6, 1997, Pages 419-427

  Pérez, Patricia ^a,c   Contreras, Renato ^a,c   Vela, Alberto ^a   Tapia, Orlando ^b  

^a UNIVERSIDAD AUTÓNOMA METROPOLITANA   (Mexico)

^b UPPSALA UNIVERSITY   (Sweden)

^c UNIVERSITY OF CHILE   (Chile)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0031560719     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(97)00313-8     Document Type: Article

References (34)

1. [1] S. Scheiner, J. Mol. Struct. (Theochem) 307 (1994) 65.
2. [2] A. Pudzianowski, J. Phys. Chem. 100 (1996) 4781.
3. [3] D. Wei, D.R. Salahub, J. Chem. Phys. 101 (1994) 7632.
4. [4] Z. Latajka, Y. Bouteiller, S. Scheiner, Chem. Phys. Lett. 234 (1995) 159.
5. [5] J.A. Platts, K.E. Laidig, J. Phys. Chem. 100 (1996) 13455.
6. [6] P. Desmeules, L.C. Allen, J. Chem. Phys. 72 (1980) 4731.
7. [7] W.R. Davidson, J. Sunner, P. Kebarle, J. Am. Chem. Soc. 101 (1979) 1675.
8. [8] A. Rabold, R. Bauer, G. Zundel, J. Phys. Chem. 99 (1995) 1889.
9. [9] R.G. Parr and W. Yang, Density Functional Theory of Atoms and Molecules, Oxford, New York (1988).
10. [10] R.G. Pearson, in Structure and Bonding, Vol. 80, K.D. Sen (De.), Springer-Verlag, Berlin, Heidelberg ( 1993), p. 1.
11. [11] M. Sodupe, A. Oliva, J. Bertrán, J. Am. Chem. Soc. 116 (1994) 8249.
12. [12] S. Tomoda, Faraday Discuss Chem. Soc. 85 (1988) 53.
13. [13] H.-H. Bueker, E. Uggerud, J. Phys. Chem. 99 (1995) 5945.
14. [14] P. Pérez, R. Contreras, Chem, Phys. Lett. 256 (1996) 15.
15. [15] F. Cacace, M. Speranza, Science 265 (1994) 208.
16. [16] P. Kebarle, Ann. Rev. Phys. Chem. 28 (1977) 445.
17. [17] D. Aue, H.M. Webb, M.T. Bowers, J. Am. Chem. Soc. 98 (1976) 311.
18. th Edition, New York, London, Paris, Mexico, Tokio (1988), p, 495.
19. [19] M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, M.A. Robb, J.R. Cheesman, T, Keith, G.A. Petersson, J.A. Montgomery, K. Raghavachari, M.A. Al-Laham, V.G. Zakrzewski, J.V. Ortiz, J.V, Foresman, J. Cioslowski, B.B. Stepanov, A. Nanayakkara, M. Challacombe, C.Y. Peng, T.Y. Ayala, W. Chen, M.W. Wong, J.L. Andres, E.S. Replogle, R. Gomperts, R.L. Martin, V.J. Fox, J.S. Binkley, D.J. Defrees, J. Baker, J.P. Stewart, M. Head-Gordon, C. González and J.A. Pople, Gaussian Inc., Pittsburgh, PA (1995).
20. [20] W. Kohn, L.J. Sham, Phys. Rev. 140 (1965) A1133.
21. [21] A.D. Becke, J. Chem. Phys. 98 (1993) 5648.
22. [22] J.P. Perdew, W. Yang, Phys. Rev. B 45 (1992) 13244.
23. [23] J.A. Ibers, J. Chem. Phys. 40 (1964) 402.
24. [24] M. Arshadi, R. Yamdagni, P. Kebarle, J. Phys. Chem. 74 (1970) 1483.
25. [25] M. Meot-Ner, L. Sieck, J, Am. Chem. Soc. 108 (1986) 7525.
26. [26] M. Henchman, D. Smith, N. Adams, Int. J. Mass Spect. Ion Proc. 109 (1991) 105.
27. [27] K. Hiraoka, H. Takimoto, H. Yamabe, J. Phys. Chem. 90 (1986) 5910.
28. [28] M. Meot-Ner, J. Am. Chem. Soc. 106 (1984) 1257.
29. [29] O. Tapia and J. Andrés, J. Mol. Struct. 335 (1995) 267; O. Tapia, J. Andrés and F.L.M.G. Stamato in Solvent Effects and Chemical Reactivity, Ed. by O. Tapia and J. Bertrán, (1996) Kluwer Acad. Pub., Dordrecht, Vol. 17, pp 283-361.
30. [29] O. Tapia and J. Andrés, J. Mol. Struct. 335 (1995) 267; O. Tapia, J. Andrés and F.L.M.G. Stamato in Solvent Effects and Chemical Reactivity, Ed. by O. Tapia and J. Bertrán, (1996) Kluwer Acad. Pub., Dordrecht, Vol. 17, pp 283-361.
31. [30] S.M. Collyer, T.B. McMahon, J. Phys. Chem. 87 (1983) 909.
32. [31] S.G. Lias, J.E. Bartmess, J.F. Liebman, J.L. Holmes and W.G. Mallard, J. Phys. Chem. Ref. Data, 17 (1988) Suppl. 1.
33. [32] J.E. Szulejko, T.B. McMahon, J. Am. Chem. Soc. 115 (1993) 7839.
34. [33] S.G. Lias, J.F. Liebman, R.D. Levin, J. Phys. Chem. Ref. Data. 13 (1984) 695.