Theoretical and NMR studies of deuterium isotopic perturbation of hydrogen bonding in symmetrical dihydroxy compounds

Journal of Organic Chemistry

Volumn 75, Issue 5, 2010, Pages 1331-1342

  O'Leary, Daniel J ^a,b   Hickstein, Daniel D ^b   Hansen, Bjarke K V ^c   Hansen, Poul Erik ^c  

^a BOWDOIN COLLEGE   (United States)

^b POMONA COLLEGE   (United States)

^c ROSKILDE UNIVERSITY   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

ANHARMONIC FREQUENCIES; ANHARMONIC VIBRATIONAL FREQUENCY; BOND-STRETCHING; FREE-ENERGY DIFFERENCE; GAUSSIANS; HARMONIC FREQUENCY; HYDROGEN BONDINGS; INTERMOLECULAR HYDROGEN BONDS; ISOTOPE EFFECT; LOW-FREQUENCY VIBRATIONAL MODES; MP2 LEVELS; NMR DATA; NMR STUDIES; SITE PREFERENCES; VIBRATIONAL ENTROPY; ZERO-POINT VIBRATIONAL ENERGIES;

CARRIER MOBILITY; COMPLEXATION; DEUTERIUM; DEUTERIUM COMPOUNDS; FORECASTING; FREE ENERGY; HYDROGEN; NUCLEAR MAGNETIC RESONANCE;

HYDROGEN BONDS;

2,6 DIHYDROXYACYLAROMATIC DERIVATIVE; AROMATIC COMPOUND; DEUTERIUM; UNCLASSIFIED DRUG;

ARTICLE; CONTROLLED STUDY; ENTHALPY; ENTROPY; HYDROGEN BOND; NUCLEAR MAGNETIC RESONANCE;

EID: 77949293298     PISSN: 00223263     EISSN: 15206904     Source Type: Journal    
DOI: 10.1021/jo902075z     Document Type: Article

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