FTIR and Raman spectra, DFT and SQMFF calculations for geometrical interpretation and vibrational analysis of some trifluorobenzoic acid dimers

Vibrational Spectroscopy

Volumn 52, Issue 2, 2010, Pages 163-172

  Mukherjee, V ^a   Singh, N P ^a   Yadav, R A ^b  

^a UDAI PRATAP AUTONOMOUS COLLEGE   (India)

^b BANARAS HINDU UNIVERSITY   (India)

Author keywords

2,4,5 and 3,4,5 Trifluorobenzoic acids; DFT and SQMFF; FTIR spectra; Molecular geometries; PEDs; Raman spectra

Indexed keywords

BENZOIC ACID; BONDED INTERFACE; DFT METHOD; DIFLUORINATED; DIMERIZED SYSTEM; EXPERIMENTAL VALUES; FLUORINE SUBSTITUTION; FT-IR SPECTRUM; FTIR; GEOMETRICAL INTERPRETATION; MOLECULAR GEOMETRIES; MONOMERIC FORMS; OPTIMIZED GEOMETRIES; POTENTIAL ENERGY DISTRIBUTION; RAMAN ACTIVITIES; RAMAN INTENSITIES; RAMAN SPECTRA; RED SHIFT; SQM FORCE FIELDS; STRETCHING FREQUENCY; TRIFLUOROBENZOIC ACID; VIBRATIONAL ANALYSIS; VIBRATIONAL ASSIGNMENT; VIBRATIONAL FREQUENCIES;

BOND LENGTH; CATALYTIC OXIDATION; FLUORINE; FOURIER TRANSFORM INFRARED SPECTROSCOPY; GEOMETRY; MOLECULES; OLIGOMERS; PROBABILITY DENSITY FUNCTION; RAMAN SCATTERING; RAMAN SPECTROSCOPY;

ACIDS;

EID: 76849108757     PISSN: 09242031     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.vibspec.2010.01.008     Document Type: Article

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