Electronic influences on 3J(C,H) coupling constants via -S-, -S(O)- and -SO2-: Their determination, calculation and comparison of detection methods

Magnetic Resonance in Chemistry

Volumn 42, Issue 8, 2004, Pages 667-670

  Heydenreich, Matthias ^a   Koch, Andreas ^a   Kovács, József ^b   Tóth, Gábor ^c,d   Kleinpeter, Erich ^a  

^a UNIVERSITY OF POTSDAM   (Germany)

^b Comgenex Inc ^*  (Hungary)

^c BUDAPEST UNIVERSITY OF TECHNOLOGY AND ECONOMICS   (Hungary)

^d TEVA PHARMACEUTICALS   (Israel)

Author keywords

3J(C,H) coupling constants; DFT calculation; NMR; Sulfides; Sulfones; Sulfoxides

Indexed keywords

CARBON; COMPLEXATION; DENSITY FUNCTIONAL THEORY; HYDROGEN; HYDROGEN BONDS; QUANTUM THEORY;

3J(C,H) COUPLING CONSTANT; C-H COUPLING CONSTANT; DETECTION METHODS; DFT CALCULATION; ELECTRONIC INFLUENCE; FERMI CONTACT TERM; PULSE SEQUENCE; QUANTUM MECHANICAL METHOD; SULPHIDE; SULPHUR ATOMS;

SULFUR COMPOUNDS;

CARBON; HYDROGEN; SULFUR; SULFUR DIOXIDE;

ARTICLE; CHEMICAL REACTION; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ELECTRONICS; HYDROGEN BOND; MOLECULAR DYNAMICS; QUANTUM MECHANICS; REACTION ANALYSIS; STRUCTURE ANALYSIS;

EID: 10844281377     PISSN: 07491581     EISSN: None     Source Type: Journal    
DOI: 10.1002/mrc.1398     Document Type: Article

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