Substituent effects on scalar J(13C, 13C) couplings in pyrimidines. An experimental and DFT study

Magnetic Resonance in Chemistry

Volumn 42, Issue 11, 2004, Pages 938-943

  De Kowalewski, Dora G ^a   Díez, Ernesto ^b   Esteban, Angel L ^c   Barone, Verónica ^d   Peralta, Juan E ^d   Contreras, Rubén H ^a  

^a Facultad de Ciencias Naturales e Instituto M Lillo   (Argentina)

^b UNIVERSIDAD AUTÓNOMA DE MADRID   (Spain)

^c UNIVERSITY OF ALICANTE   (Spain)

^d RICE UNIVERSITY   (United States)

Author keywords

13C NMR; Dual path transmission; Hyperconjugative interactions; J(C,C) scalar couplings; Lone pair orientation effect; NMR; Pyrimidines

Indexed keywords

COUPLINGS;

13C NMR; DUAL PATH; DUAL PATH TRANSMISSION; HYPERCONJUGATIVE INTERACTIONS; J(C,C) SCALAR COUPLING; LONE PAIR; LONE-PAIR ORIENTATION EFFECT; ORIENTATION EFFECT; PYRIMIDINE; SCALAR COUPLING;

BENZENE;

BENZENE; CARBON 13; NITROGEN DERIVATIVE; PYRIDINE; PYRIMIDINE DERIVATIVE;

ARTICLE; CARBON NUCLEAR MAGNETIC RESONANCE; CHEMICAL INTERACTION; DENSITY FUNCTIONAL THEORY; MOLECULAR MODEL; SUBSTITUTION REACTION;

EID: 84962415180     PISSN: 07491581     EISSN: None     Source Type: Journal    
DOI: 10.1002/mrc.1426     Document Type: Article

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