Structure of 2,3-dicarboxy-1-methylpyridinium chloride studied by X-ray diffraction, DFT calculation, NMR, FTIR and Raman spectra

Journal of Molecular Structure

Volumn 1018, Issue , 2012, Pages 21-27

  Barczynski P ^a   Szafran, M ^a   Ratajczak Sitarz, M ^a   Nowaczyk, L ^a   Dega Szafran, Z ^a   Katrusiak, A ^a  

^a ADAM MICKIEWICZ UNIVERSITY   (Poland)

Author keywords

2,3 Dicarboxy 1 methylpyridinium chloride; B3LYP calculations; Electrostatic interactions; FTIR and NMR spectra; Hydrogen bonds; X ray diffraction

Indexed keywords

2,3-DICARBOXY-1-METHYLPYRIDINIUM CHLORIDE; B3LYP CALCULATIONS; CHLORIDE ANIONS; DFT CALCULATION; FT-IR SPECTRUM; FTIR; FTIR AND NMR SPECTRA; ISOTROPIC SHIELDING; LINEAR CORRELATION; OUT-OF-PLANE; SINGLE MOLECULE; SOLID COMPOUNDS; SOLVATION MODELS; SPACE GROUPS; X-RAY STRUCTURE; ZIGZAG CHAINS;

CHLORINE COMPOUNDS; COMPLEXATION; COULOMB INTERACTIONS; DENSITY FUNCTIONAL THEORY; FOURIER TRANSFORM INFRARED SPECTROSCOPY; NUCLEAR MAGNETIC RESONANCE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; RAMAN SCATTERING; X RAY DIFFRACTION;

HYDROGEN BONDS;

EID: 84861676519     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2011.11.009     Document Type: Conference Paper

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