Crystal structure of and solvent effect on tautomeric equilibrium in Schiff base derived from 2-hydroxy-1-naphthaldehyde and methylamine studied by X-ray diffraction, DFT, NMR and IR methods

Journal of Molecular Structure

Volumn 929, Issue 1-3, 2009, Pages 32-42

  Dziembowska, T ^a   Szafran, M ^b   Katrusiak, A ^b   Rozwadowski, Z ^a  

^a WEST POMERANIAN UNIVERSITY OF TECHNOLOGY   (Poland)

^b ADAM MICKIEWICZ UNIVERSITY   (Poland)

Author keywords

B3LYP calculations; NMR and FTIR spectra; Schiff base; X ray diffraction

Indexed keywords

B3LYP CALCULATIONS; B3LYP/6-31G; FTIR SPECTROSCOPY; INTRAMOLECULAR HYDROGEN TRANSFER; IR METHODS; ISOTROPIC SHIELDING; LINEAR CORRELATION; NMR AND FTIR SPECTRA; NMR CHEMICAL SHIFTS; SCHIFF BASE; SOLVATION MODELS; SOLVENT EFFECTS; SOLVENT PARAMETER; SPACE GROUPS; TAUTOMERIC EQUILIBRIA;

CHEMICAL SHIFT; CRYSTAL STRUCTURE; DIFFRACTION; FOURIER TRANSFORM INFRARED SPECTROSCOPY; HYDROGEN; HYDROGEN BONDS; NUCLEAR MAGNETIC RESONANCE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; SOLVENTS; X RAY DIFFRACTION; X RAY DIFFRACTION ANALYSIS;

EQUILIBRIUM CONSTANTS;

EID: 67349140913     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2009.04.001     Document Type: Article

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