Synthesis, spectroscopic characterization, X-ray structure and DFT studies on 4-(2-hydroxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-5-ium chloride hydrate

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 82, Issue 1, 2011, Pages 360-367

  Türkyilmaz, Murat ^a   Özdemir, Namik ^b   Baran, Yakup ^c  

^a TRAKYA UNIVERSITY   (Turkey)

^b ONDOKUZ MAYIS UNIVERSITY   (Turkey)

^c ÇANAKKALE ONSEKIZ MART UNIVERSITY   (Turkey)

Author keywords

DFT calculations; IR and NMR spectroscopy; Molecular electrostatic potential (MEP); Non linear optical properties; X ray structure determination

Indexed keywords

DFT CALCULATION; IR AND NMR SPECTROSCOPY; MOLECULAR ELECTROSTATIC POTENTIALS; NON-LINEAR OPTICAL PROPERTIES; X-RAY STRUCTURE DETERMINATION;

CHLORINE; CHLORINE COMPOUNDS; DENSITY FUNCTIONAL THEORY; ELECTROSTATICS; HYDRATES; HYDRATION; MOLECULAR INTERACTIONS; MOLECULAR STRUCTURE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; QUANTUM CHEMISTRY; X RAY DIFFRACTION;

OPTICAL PROPERTIES;

4 (2 HYDROXYPHENYL) 4,5,6,7 TETRAHYDRO 1H IMIDAZO(4,5 C)PYRIDIN 5 IUM CHLORIDE HYDRATE; 4-(2-HYDROXYPHENYL)-4,5,6,7-TETRAHYDRO-1H-IMIDAZO(4,5-C)PYRIDIN-5-IUM CHLORIDE HYDRATE; CARBON; CHLORIDE; HYDROGEN; IMIDAZOLE DERIVATIVE; PYRIDINIUM DERIVATIVE;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER PROGRAM; COMPUTER SIMULATION; CONFORMATION; CRYSTALLIZATION; INFRARED SPECTROPHOTOMETRY; METHODOLOGY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; OPTICS; SPECTROPHOTOMETRY; STATIC ELECTRICITY; X RAY; X RAY DIFFRACTION;

CARBON; CHLORIDES; COMPUTER SIMULATION; CRYSTALLIZATION; HYDROGEN; IMIDAZOLES; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, CHEMICAL; MOLECULAR CONFORMATION; OPTICS AND PHOTONICS; PYRIDINIUM COMPOUNDS; SOFTWARE; SPECTROPHOTOMETRY; SPECTROPHOTOMETRY, INFRARED; STATIC ELECTRICITY; X-RAY DIFFRACTION; X-RAYS;

EID: 80052797927     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2011.07.063     Document Type: Article

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