A unified perspective on the hydrogen atom transfer and proton-coupled electron transfer mechanisms in terms of topographic features of the ground and excited potential energy surfaces as exemplified by the reaction between phenol and radicals

Journal of the American Chemical Society

Volumn 130, Issue 22, 2008, Pages 7000-7010

  Tishchenko, Oksana ^a,b   Truhlar, Donald G ^a   Ceulemans, Arnout ^a   Minh, Tho Nguyen ^b  

^a UNIVERSITY OF MINNESOTA   (United States)

^b UNIVERSITY OF LEUVEN   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC STRUCTURE; HYDROGEN; PHENOLS; VALENCE BANDS;

HYDROGEN ATOM TRANSFER (HAT); PRODUCT BONDING PATTERNS; PROTON-COUPLED ELECTRON TRANSFER (PCET);

POTENTIAL ENERGY SURFACES;

HYDROGEN; PHENOL; RADICAL;

ARTICLE; CHEMICAL ANALYSIS; CHEMICAL REACTION; ELECTRON TRANSPORT; ENERGY; PROTON TRANSPORT; TOPOGRAPHY;

EID: 44449157255     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja7102907     Document Type: Article

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