DFT and NMR studies of 2JCOH, 3J HCOH, and 3JCCOH Spin-couplings in saccharides: C-O torsional bias and H-bonding in aqueous solution

Journal of Organic Chemistry

Volumn 72, Issue 19, 2007, Pages 7071-7082

  Zhao, Hongqiu ^a   Pan, Qingfeng ^a   Zhang, Wenhui ^a   Carmichael, Ian ^b   Serianni, Anthony S ^a  

^a UNIVERSITY OF NOTRE DAME   (United States)

^b UNIVERSITY OF NOTRE DAME   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

GLYCOSIDIC BOND CONFORMATION; HYDROXYL PROTONS; KARPLUS EQUATION; TORSION ANGLES;

CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; NUCLEAR MAGNETIC RESONANCE; PROTONS; SOLUTIONS;

GLUCOSE;

ACETONE; CARBOHYDRATE DERIVATIVE; CARBON; CARBON 13; GLYCOSIDE; HYDROGEN; METHYL ALDOPYRANOSIDE DERIVATIVE; OXYGEN; PYRANOSIDE; UNCLASSIFIED DRUG; WATER;

AQUEOUS SOLUTION; ARTICLE; CHEMICAL BINDING; CHEMICAL STRUCTURE; CONFORMATIONAL TRANSITION; DENSITY FUNCTIONAL THEORY; HYDROGEN BOND; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; NUCLEAR MAGNETIC RESONANCE; QUANTITATIVE ANALYSIS;

CARBOHYDRATE CONFORMATION; GLYCOSIDES; HYDROGEN BONDING; METHYLGALACTOSIDES; METHYLGLUCOSIDES; METHYLGLYCOSIDES; MODELS, MOLECULAR; NUCLEAR MAGNETIC RESONANCE, BIOMOLECULAR; SOLUTIONS; THERMODYNAMICS; WATER;

EID: 34548714101     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo0619884     Document Type: Article

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