Effect of the substituent and hydrogen bond on the geometry and electronic properties of OH and O- groups in para-substituted phenol and phenolate derivatives

Journal of Physical Chemistry A

Volumn 114, Issue 40, 2010, Pages 10885-10890

  Szatylowicz, Halina ^a   Krygowski, Tadeusz M ^b  

^a WARSAW UNIVERSITY OF TECHNOLOGY   (Poland)

^b UNIVERSITY OF WARSAW   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

AROMATICITY INDICES; COMPUTATIONAL MODELING; COVALENT CHARACTER; COVALENT NATURE; GEOMETRIC PARAMETER; H-BOND STRENGTH; H-BONDED COMPLEXES; H-BONDING; HYDROGEN ATOMS; INTERMOLECULAR INTERACTIONS; NEGATIVE SLOPE; OH GROUP; PARA-SUBSTITUTED PHENOLS; PHENOL DERIVATIVES; SUBSTITUENT EFFECT;

BOND LENGTH; CHLORINE COMPOUNDS; ELECTRONIC PROPERTIES; HYDROGEN; HYDROGEN BONDS; OXYGEN; PHENOLS; PROTONS;

COMPLEXATION;

EID: 77957826299     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp1071204     Document Type: Article

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