Theoretical study of the vibrational spectra of the hydrogen-bonded systems between pyridine-3-carboxamide (nicotinamide) and DMSO

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 71, Issue 5, 2009, Pages 1720-1727

  Dimitrova, Yordanka ^a   Daskalova, Lalka I ^a  

^a INSTITUTE OF ORGANIC CHEMISTRY   (Bulgaria)

Author keywords

Ab initio and DFT calculations; Hydrogen bonded nicotinamide DMSO complexes; Vibrational spectra

Indexed keywords

AMIDES; ASTROPHYSICS; DIMETHYL SULFOXIDE; DOPPLER EFFECT; FORECASTING; FORMING; HYDROGEN; HYDROGEN BONDS; LATTICE VIBRATIONS; MOLECULAR SPECTROSCOPY; MONOMERS; NONMETALS; PROBABILITY DENSITY FUNCTION; STRETCHING; SULFUR COMPOUNDS; VIBRATIONAL SPECTRA;

AB INITIO; AB INITIO AND DFT CALCULATIONS; BONDED INTERACTIONS; BONDED SYSTEMS; CARBOXAMIDE; H BONDS; HYDROGEN-BONDED COMPLEXES; INFRARED INTENSITIES; IR INTENSITIES; LARGE RED SHIFTS; RED SHIFTS; STRETCHING VIBRATIONS; VIBRATIONAL CHARACTERISTICS; VIBRATIONAL FREQUENCIES; WAVENUMBER SHIFTS;

COMPLEXATION;

DIMETHYL SULFOXIDE; NICOTINAMIDE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; HYDROGEN BOND; METABOLISM; SPECTROSCOPY; THEORETICAL MODEL; VIBRATION;

COMPUTER SIMULATION; DIMETHYL SULFOXIDE; HYDROGEN BONDING; MODELS, MOLECULAR; MODELS, THEORETICAL; NIACINAMIDE; SPECTRUM ANALYSIS; VIBRATION;

EID: 56049083478     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2008.06.036     Document Type: Article

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