Density functional theory studies of transannular 1H-1H J-coupling in half-cage alcohols and rigid 1,3- and 1,4-diols: Conformational dependencies and implications for intramolecular hydrogen bond detection in carbohydrates

Magnetic Resonance in Chemistry

Volumn 39, Issue SPEC. ISS., 2001, Pages

  Barfield, Michael ^a   Bergset, Jon M ^b   O'Leary, Daniel J ^b  

^a University of Arizona   (United States)

^b POMONA COLLEGE   (United States)

Author keywords

1,4 and 1,3 diols; 1H 1H scalar coupling; Conformational dependence; DFT calculations; FPT; Half cage alcohols; Hydrogen bond

Indexed keywords

CARBOHYDRATES; COMPLEXATION; DENSITY FUNCTIONAL THEORY; DIHEDRAL ANGLE; INDIUM COMPOUNDS; PERTURBATION TECHNIQUES;

1,4- AND 1,3-DIOL; 1H-1H SCALAR COUPLING; CONFORMATIONAL DEPENDENCE; COUPLING CONSTANTS; DENSITY-FUNCTIONAL THEORY CALCULATIONS; FINITE PERTURBATION THEORY; HALF-CAGE ALCOHOL; INTRAMOLECULAR HYDROGEN BOND; PERTURBATION THEORY; SCALAR COUPLING;

HYDROGEN BONDS;

EID: 0035643312     PISSN: 07491581     EISSN: None     Source Type: Journal    
DOI: 10.1002/mrc.930     Document Type: Article

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