Abstract
A simple model is proposed to calculate a component of the electron-transfer reorganization energy derived from the reversible process of noncovalent bond formation/dissociation between the reactant and hydrogen bonding donor or ligand. In the model, the reorganization of the formation/dissociation of the noncovalent-bonded complex is estimated by considering the chemical equilibrium change during the electron-transfer reaction. The effects of the hydrogen bonding and the ligand binding on the reorganization energies are calculated for the one-electron reduction processes of quinones, flavin, and the hem-fragment of cytochrome c based on the formation/dissociation constants of the noncovalent-bonded complexes in the liquid phase.
| Original language | English |
|---|---|
| Pages (from-to) | 13255-13257 |
| Number of pages | 3 |
| Journal | Journal of Physical Chemistry B |
| Volume | 107 |
| Issue number | 48 |
| Publication status | Published - 2003 Dec 4 |
ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Surfaces, Coatings and Films
- Materials Chemistry