Electrochemical proton-coupled electron transfer of an osmium aquo complex: Theoretical analysis of asymmetric tafel plots and transfer coefficients

Journal of the American Chemical Society

Volumn 132, Issue 4, 2010, Pages 1234-1235

  Ludlow, Michelle K ^a   Soudackov, Alexander V ^a   Hammes Schiffer, Sharon ^a  

^a PENNSYLVANIA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DIELECTRIC CONTINUUM MODEL; ELECTROCHEMICAL PROTONS; ELECTRON TRANSFER; EXPERIMENTAL DATA; GOLD ELECTRODES; HETEROGENEOUS RATE CONSTANT; KINETIC ISOTOPE EFFECTS; OVERPOTENTIAL; PROTON DONORS; QUALITATIVE BEHAVIOR; REORGANIZATION ENERGIES; STANDARD RATE CONSTANT; STANDARD VALUES; SYSTEM PROPERTY; TAFEL PLOTS; THEORETICAL CALCULATIONS; THEORETICAL FORMULATION; TRANSFER COEFFICIENT; VIBRATIONAL WAVE FUNCTIONS;

CONTINUUM MECHANICS; ELECTRON TRANSITIONS; GOLD COMPOUNDS; ISOTOPES; MONOLAYERS; OSMIUM; PROTONS; RATE CONSTANTS;

DENSITY FUNCTIONAL THEORY;

OSMIUM DERIVATIVE;

ARTICLE; CHEMICAL REACTION KINETICS; DENSITY FUNCTIONAL THEORY; ELECTROCHEMISTRY; ELECTRON TRANSPORT; HYDROGEN BOND; OXIDATION REDUCTION REACTION; SOLVATION; THEORETICAL STUDY; VIBRATION;

EID: 77950435448     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja910277p     Document Type: Article

References (14)

1. Cukier, R. I.; Nocera, D. G. Annu. Rev. Phys. Chem. 1998, 49, 337-369.
2. Hammes-Schiffer, S. Acc. Chem. Res. 2001, 34, 273-281.
3. Mayer, J. M. Annu. Rev. Phys. Chem. 2004, 55, 363-390.
4. Huynh, M. H.; Meyer, T. J. Chem. Rev. 2007, 107, 5004-5064.
5. Irebo, T.; Reece, S. Y.; Sjödin, M.; Nocera, D. G.; Hammarström, L. J. Am. Chem. Soc. 2007, 129, 15462-15463.
6. Hammes-Schiffer, S.; Soudackov, A. V. J. Phys. Chem. B 2008, 112, 14108-14123.
7. Costentin, C.; Robert, M.; Savéant, J.-M. J. Electroanal. Chem. 2006, 588, 197-206. Costentin, C. Chem. Rev. 2009, 108, 2145-2179.
8. Venkataraman, C.; Soudackov, A. V.; Hammes-Schiffer, S. J. Phys. Chem. C 2008, 112, 12386-12397.
9. Madhiri, N.; Finklea, H. O. Langmuir 2006, 22, 10643-10651.
10. Costentin, C.; Robert, M.; Savéant, J.-M.; Teillout, A.-L. ChemPhysChem 2009, 10, 191-198.
11. Soudackov, A.; Hatcher, E.; Hammes-Schiffer, S. J. Chem. Phys. 2005, 122, 014505.
12. Frisch, M. J. et al. Gaussian 03, revision C.03; Gaussian, Inc.: Pittsburgh, PA: 2003.
13. Liu, Y. P.; Newton, M. D. J. Phys. Chem. 1994, 98, 7162-7169.
14. Webb, S. P.; Hammes-Schiffer, S. J. Chem. Phys. 2000, 113, 5214-5227.