Theoretical analysis of kinetic isotope effects on proton transfer reactions between substituted α-methoxystyrenes and substituted acetic acids

Journal of the American Chemical Society

Volumn 131, Issue 39, 2009, Pages 13963-13971

  Wong, Kin Yiu ^a   Richard, John P ^b   Gao, Jiali ^a  

^a University of Minnesota   (United States)

^b UNIVERSITY AT BUFFALO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CARBOXYLIC ACIDS; CARRIER MOBILITY; CHARGE TRANSFER; FREE ENERGY; ISOTOPES; PERTURBATION TECHNIQUES; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; PROTON TRANSFER; PROTONATION; QUANTUM CHEMISTRY; WIND TUNNELS;

ANHARMONICITIES; CARBOCATIONS; CHLOROACETIC ACIDS; COMPUTATIONAL APPROACH; DRIVING FORCES; EXPERIMENTAL DATA; FEYNMAN PATH INTEGRALS; GOOD CORRELATIONS; HAMMOND; HARMONIC VIBRATIONAL FREQUENCIES; KINETIC ISOTOPE EFFECTS; ORGANIC REACTION; OXOCARBENIUM; PROTON TRANSFER REACTIONS; PROTONATION REACTIONS; QUANTITATIVE ESTIMATES; REACTION BARRIERS; SECOND ORDERS; STRONG ACIDS; TRANSITION STATE STRUCTURE; TRANSITION STRUCTURES; VARIATIONAL PERTURBATION THEORY;

ORGANIC ACIDS;

ACETIC ACID DERIVATIVE; ALPHA METHOXYSTYRENE DERIVATIVE; CARBOXYLIC ACID; CARBOXYLIC ACID DERIVATIVE; CHLOROACETIC ACID; DEUTERIUM; STYRENE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; ISOTOPE ANALYSIS; MATHEMATICAL COMPUTING; PROTON TRANSPORT; THEORETICAL STUDY;

EID: 84961986777     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja905081x     Document Type: Article

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