The origin of one-bond C-H coupling constants in OCH fragments: Not primarily nO→σCH*, delocalization

Angewandte Chemie - International Edition

Volumn 44, Issue 16, 2005, Pages 2360-2364

  Cuevas, Gabriel ^a   Martínez Mayorga, Karina ^a   Fernández Alonso, María Del Carmen ^c   Jiménez Barbero, Jesús ^c   Perrin, Charles L ^b   Juaristi, Eusebio ^d   López Mora, Néstor ^a  

^a UNIVERSIDAD NACIONAL AUTÓNOMA DE MÉXICO   (Mexico)

^b UNIVERSITY OF CALIFORNIA   (United States)

^c CENTRO DE INVESTIGACIONES BIOLÓGICAS   (Spain)

^d DEPARTAMENTO DE FÍSICA   (Mexico)

Author keywords

Conformation analysis; Coupling constants; Density functional calculations; Dipolar interactions; Stereoelectronic effects

Indexed keywords

CARRIER CONCENTRATION; CHEMICAL BONDS; CONFORMATIONS; ETHERS;

C-H COUPLING CONSTANT; DIMETHYL ETHER; ETHYL METHYL ETHER; OFTETRAHYDROPYRAN;

ORGANIC COMPOUNDS;

CARBON; HYDROGEN;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY;

CARBON; HYDROGEN; MODELS, MOLECULAR;

EID: 18044395353     PISSN: 14337851     EISSN: None     Source Type: Journal    
DOI: 10.1002/anie.200461583     Document Type: Article

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