Pairwise substitution effects, inter- and intramolecular hydrogen bonds in methoxyphenols and dimethoxybenzenes. Thermochemistry, calorimetry, and first-principles calculations

Journal of Physical Chemistry B

Volumn 114, Issue 49, 2010, Pages 16503-16516

  Varfolomeev, Mikhail A ^a   Abaidullina, Dilyara I ^a   Solomonov, Boris N ^a   Verevkin, Sergey P ^b   Emel'Yanenko, Vladimir N ^b  

^a KAZAN FEDERAL UNIVERSITY   (Russian Federation)

^b UNIVERSITY OF ROSTOCK   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

BOND STRENGTH (CHEMICAL); CALORIMETRY; COMPLEXATION; DENSITY FUNCTIONAL THEORY; ENTHALPY; FOURIER TRANSFORMS; HYDROGEN; PHENOLS; QUANTUM CHEMISTRY; THERMOCHEMISTRY;

2-METHOXYPHENOL; AB INITIO CALCULATIONS; BIOLOGICALLY ACTIVE MOLECULES; CONDENSED MATTER; DIMETHOXYBENZENE; EXPERIMENTAL APPROACHES; EXPERIMENTAL DATA; FIRST-PRINCIPLES CALCULATION; FOURIER TRANSFORM INFRARED; FUSION ENTHALPY; GASPHASE; H-BONDED COMPLEXES; INFINITE DILUTION; INTERMOLECULAR HYDROGEN BONDS; INTRAMOLECULAR HYDROGEN BOND; METHOXYPHENOLS; NEW RESULTS; ORGANIC BASIS; PROTON ACCEPTORS; QUANTITATIVE ANALYSIS; SOLUTION ENTHALPY; STANDARD MOLAR ENTHALPY; STRUCTURAL FRAGMENTS; SUBLIMATION ENTHALPY; SUBSTITUENT EFFECT; SUBSTITUTION EFFECT; THERMOCHEMICAL DATA; VAPORIZATION ENTHALPIES;

HYDROGEN BONDS;

EID: 78650127397     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp108459r     Document Type: Article

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