Density functional theory rationalization of the substituent effects in trifluoromethyl-pyridinol derivatives

Tetrahedron

Volumn 65, Issue 1, 2009, Pages 232-239

  Fallas, Jorge A ^a   González, Leticia ^b   Corral, Inés ^b  

^a FREIE UNIVERSITÄT BERLIN   (Germany)

^b FRIEDRICH SCHILLER UNIVERSITY JENA   (Germany)

Author keywords

Density functional theory calculations; Gas phase basicities; Intramolecular hydrogen bonds; Proton affinities; Trifluoromethyl pyridinol derivatives

Indexed keywords

3 METHOXY 6 (TRIFLUOROMETHYL) 4 PYRIDINOL DERIVATIVE; PYRIDINE DERIVATIVE; PYRIDINOL; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL STRUCTURE; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; HYDROGEN BOND; PRIORITY JOURNAL; PROTON TRANSPORT; SUBSTITUTION REACTION; THERMODYNAMICS;

EID: 56949091197     PISSN: 00404020     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.tet.2008.10.065     Document Type: Article

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