Theoretical study on the ground state intramolecular proton transfer (IPT) and solvation effect in two Schiff bases formed by 2-aminopyridine with 2-hydroxy-1-naphthaldehyde and 2-hydroxy salicylaldehyde

Journal of Molecular Modeling

Volumn 15, Issue 3, 2009, Pages 223-232

  Tezer, N ^a   Karakus, N ^a  

^a CUMHURIYET UNIVERSITY   (Turkey)

Author keywords

Density functional theory; Enol imine; Keto enamine tautomerizm; Schiff bases; Solvent effect

Indexed keywords

2 HYDROXY 1 NAPHTHALDEHYDE; 2 HYDROXYSALICYLALDEHYDE; ALDEHYDE DERIVATIVE; ENAMINE; ENOLIMINE; IMINE; KETO ENAMINE; N (2 PYRIDIL) 2 OXO 1 NAPHTHYLIDENEMETHYLAMINE; N (2 PYRIDIL)SALICYLIDENE; SALICYLALDEHYDE; SCHIFF BASE; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL REACTION; CHEMICAL STRUCTURE; ENERGY; HYDROGEN BOND; INTRAMOLECULAR PROTON TRANSFER; MOLECULAR STABILITY; PRIORITY JOURNAL; PROTON TRANSPORT; SOLVATION; SOLVENT EFFECT; STRUCTURE ANALYSIS; TAUTOMERIC SHIFT; THEORETICAL STUDY;

ALDEHYDES; AMINOPYRIDINES; MODELS, CHEMICAL; MODELS, MOLECULAR; NAPHTHALENES; PROTONS; SCHIFF BASES; SOLVENTS; THERMODYNAMICS;

EID: 59149092288     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-008-0397-6     Document Type: Article

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