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Volumn 129, Issue 36, 2007, Pages 11146-11152

Buffer-assisted proton-coupled electron transfer in a model rhenium-tyrosine complex

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATION THEORY; ISOTOPES; PH EFFECTS; PROTONS;

EID: 84961979418     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja072708k     Document Type: Article
Times cited : (57)

References (54)
  • 29
    • 84962354953 scopus 로고    scopus 로고
    • Dennington, R, II; Keith, T, Millam, J. M, Eppinnett, K, Hovell, W. L, Gilliland, R. GaussView, Version 3.0; Semichem, Inc, Shawnee Mission, KS, 2003
    • Dennington, R., II; Keith, T.; Millam, J. M.; Eppinnett, K.; Hovell, W. L.; Gilliland, R. GaussView, Version 3.0; Semichem, Inc.: Shawnee Mission, KS, 2003.
  • 33
    • 84962429465 scopus 로고    scopus 로고
    • 6.0; Schrodinger, Inc, Portland, OR
    • Jaguar, 6.0; Schrodinger, Inc.: Portland, OR, 2005.
    • (2005) Jaguar
  • 35
    • 84962479091 scopus 로고    scopus 로고
    • Gaussian, Inc, Pittsburgh, PA
    • Frisch, M. J.; et al. Gaussian 03, revision C.03; Gaussian, Inc.: Pittsburgh, PA, 2003.
    • (2003) Gaussian 03, revision , Issue.C.03
    • Frisch, M.J.1
  • 42
    • 84962479083 scopus 로고    scopus 로고
    • In ref 41, the total reorganization energy is estimated experimentally to be 1.9 eV for electron transfer in a series of [Re(bpy)(CO)3CN, FnY- complexes. Consistent values were obtained from the experimentally observed dependence of the electron-transfer rates on the driving force and on temperature using a non-adiabatic Marcus theory formalism
    • - complexes. Consistent values were obtained from the experimentally observed dependence of the electron-transfer rates on the driving force and on temperature using a non-adiabatic Marcus theory formalism.


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