Nonlinear free energy relations for adiabatic proton transfer reactions in a polar environment. I. Fixed proton donor - Acceptor separation

Journal of Physical Chemistry A

Volumn 106, Issue 9, 2002, Pages 1834-1849

  Kiefer, Philip M ^a   Hynes, James T ^a,b  

^a UNIVERSITY OF COLORADO   (United States)

^b ECOLE NORMALE SUPÉRIEURE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; ELECTRON TRANSITIONS; ELECTRONIC STRUCTURE; FREE ENERGY; IONIZATION; PROTONS; QUANTUM THEORY;

PROTON TRANSFER;

CHARGE TRANSFER;

EID: 0037035206     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0134244     Document Type: Article

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128. (b) Baksic, D.; Bertran, J.; Lluch, J.M.; Hynes, J.T. J. Phys. Chem. A 1998, 102, 3977. This behavior likely involves the necessity of more than two VB states in the description, and so is not governed by the present theory.
129. E = 13.6 kcal/mol, a constant independent of the reaction asymmetry via eq 5.15.
130. ‡.