Theoretical analysis of the unusual temperature dependence of the kinetic isotope effect in quinol oxidation

Journal of the American Chemical Society

Volumn 131, Issue 20, 2009, Pages 7094-7102

  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

ACETONITRILE; BIOMIMETICS; CARRIER MOBILITY; CHARGE TRANSFER; DEUTERIUM; ELECTRON ENERGY LEVELS; HYDROGEN; HYDROGEN BONDS; ION EXCHANGE; OXIDATION; PROTONS; TEMPERATURE DISTRIBUTION;

BIOMIMETIC SYSTEMS; CHARGE-TRANSFER REACTIONS; DRIVING FORCES; HIGH FREQUENCY HF; INVERSE TEMPERATURES; KINETIC ISOTOPE EFFECTS; MODEL SYSTEM; OVERALL RATE; PROTON DONORS; PROTON-COUPLED ELECTRON TRANSFER; PYRIDYL; QUANTUM MECHANICAL EFFECTS; QUINOL OXIDATION; REORGANIZATION ENERGIES; RU(BPY); SOLVENT REORGANIZATION; SOLVENT REORGANIZATION ENERGY; SPLITTINGS; TEMPERATURE DEPENDENCE; THEORETICAL CALCULATIONS; THEORETICAL FORMULATION; UBIQUINOL; VIBRONIC COUPLING; VIBRONIC ENERGY LEVELS; VIBRONIC STATE;

PROTON TRANSFER;

ACETONITRILE; DEUTERIUM; HYDROGEN; HYDROQUINONE DERIVATIVE; IMIDAZOLE DERIVATIVE; ISOTOPE; QUINOL DERIVATIVE; SOLVENT; UNCLASSIFIED DRUG; 2,2' BIPYRIDINE; BENZIMIDAZOLE DERIVATIVE; BIOMIMETIC MATERIAL; BIS(BIPYRIDYL)RUTHENIUM(II); DRUG DERIVATIVE; ORGANOMETALLIC COMPOUND; PLASTOQUINOL; PLASTOQUINONE; RUTHENIUM; UBIQUINOL; UBIQUINONE;

ARTICLE; BIOMIMETICS; CALCULATION; ELECTRON TRANSPORT; ENERGY; HYDROGEN BOND; KINETICS; OXIDATION; PROTON TRANSPORT; QUANTUM MECHANICS; TEMPERATURE DEPENDENCE; CHEMICAL MODEL; CHEMISTRY; OXIDATION REDUCTION REACTION; TEMPERATURE; THERMODYNAMICS;

2,2'-DIPYRIDYL; BENZIMIDAZOLES; BIOMIMETIC MATERIALS; HYDROGEN BONDING; HYDROQUINONES; KINETICS; MODELS, CHEMICAL; ORGANOMETALLIC COMPOUNDS; OXIDATION-REDUCTION; PLASTOQUINONE; RUTHENIUM; TEMPERATURE; THERMODYNAMICS; UBIQUINONE;

EID: 70349089317     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja9001184     Document Type: Article

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