Theoretical and experimental vibrational spectrum study of 4-hydroxybenzoic acid as monomer and dimer

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 75, Issue 5, 2010, Pages 1422-1434

  Brandan S A ^a   Marquez Lopez F ^b   Montejo, M ^b   Lopez Gonzalez J J ^b   Ben Altabef, A ^a  

^a Facultad de Ciencias Naturales e Instituto M Lillo   (Argentina)

^b UNIVERSITY OF JAÉN   (Spain)

Author keywords

4 hydroxybenzoic acid; Dimer; Force field; Monomer; SQM

Indexed keywords

4-HYDROXYBENZOIC ACIDS; BASIS SETS; BENZOIC ACID; CYCLIC DIMERS; DFT-B3LYP; FORCE FIELDS; GASPHASE; HARMONIC FORCE CONSTANT; IR AND RAMAN SPECTRA; MOLECULAR GEOMETRIES; MOLECULAR SPECIES; NORMAL MODES; SCALED QUANTUM MECHANICAL ANALYSIS; SOLID-PHASE; SPECTRAL BAND; STABLE CONFORMERS; THEORETICAL CALCULATIONS; VIBRATIONAL ANALYSIS;

DENSITY FUNCTIONAL THEORY; HYDROGEN BONDS; ISOMERS; MONOMERS; OLIGOMERS; QUANTUM THEORY; RAMAN SPECTROSCOPY; VIBRATIONAL SPECTRA;

ACIDS;

4 HYDROXYBENZOIC ACID; 4 HYDROXYBENZOIC ACID ESTER; 4-HYDROXYBENZOIC ACID;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; CONFORMATION; DIMERIZATION; ELECTRICITY; HYDROGEN BOND; INFRARED SPECTROPHOTOMETRY; RAMAN SPECTROMETRY; VIBRATION;

DIMERIZATION; ELECTRICITY; HYDROGEN BONDING; MODELS, CHEMICAL; MOLECULAR CONFORMATION; PARABENS; SPECTROPHOTOMETRY, INFRARED; SPECTRUM ANALYSIS, RAMAN; VIBRATION;

EID: 77950300617     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2010.01.012     Document Type: Article

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