Vibrational and structural analysis of (hydroxypyridin-3-yl-methyl)phosphonic acid

Journal of Molecular Structure

Volumn 658, Issue 3, 2003, Pages 229-239

  Barańska, Małgorzata ^a   Chruszcz, Katarzyna ^a   Podkulska, Małgorzata ^a   Fościak, Mateusz ^a   Proniewicz, Leonard M ^a  

^a JAGIELLONIAN UNIVERSITY   (Poland)

Author keywords

(Hydroxypyridin 3 yl methyl)phosphonic acid; Density functional theory; FT IR; Generalized atomic polar tensor; Harmonic oscillator model of aromaticity; Quantum chemical calculation

Indexed keywords

(HYDROXYPYRIDIN 3 YLMETHYL)PHOSPHONIC ACID; AMPHOLYTE; ANION; PHOSPHONIC ACID DERIVATIVE; UNCLASSIFIED DRUG;

ANALYTIC METHOD; AROMATICITY INDEX; ARTICLE; ATOMIC POLAR TENSOR MODEL; CALCULATION; CHEMICAL PARAMETERS; CHEMICAL STRUCTURE; DEPROTONATION; FREQUENCY MODULATION; GEOMETRY; HARMONIC OSCILLATOR MODEL; INFRARED SPECTROSCOPY; LIGAND BINDING; MOLECULAR MODEL; PH; PROTON TRANSPORT; REACTION ANALYSIS; REACTION OPTIMIZATION; REPRODUCIBILITY; SOLID STATE; STRUCTURE ANALYSIS; SURFACE CHARGE; VIBRATION;

EID: 0141738505     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0022-2860(03)00497-6     Document Type: Article

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