Simulation of IR and Raman spectra of p-hydroxyanisole and p-nitroanisole based on scaled DFT force fields and their vibrational assignments

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 74, Issue 1, 2009, Pages 154-161

  Krishnakumar, V ^a   Prabavathi, N ^b  

^a PERIYAR UNIVERSITY   (India)

^b Sri Sarada College for Women   (India)

Author keywords

DFT calculations; FT IR; FT Raman; p Hydroxyanisole; p Nitroanisole; Vibrational spectra

Indexed keywords

DFT CALCULATIONS; FT-IR; FT-RAMAN; P-HYDROXYANISOLE; P-NITROANISOLE;

AROMATIC POLYMERS; INFRARED SPECTROSCOPY; PROBABILITY DENSITY FUNCTION; QUANTUM CHEMISTRY; RAMAN SCATTERING; RAMAN SPECTROSCOPY; SULFUR COMPOUNDS; VIBRATIONAL SPECTRA; VIBRATIONAL SPECTROSCOPY;

DENSITY FUNCTIONAL THEORY;

4 NITROANISOLE; 4-HYDROXYANISOLE; 4-NITROANISOLE; ANISOLE DERIVATIVE; CARBON; HYDROGEN; MEQUINOL;

ARTICLE; BIOLOGICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; CONFORMATION; HYDROGEN BOND; INFRARED SPECTROSCOPY; QUANTUM THEORY; RAMAN SPECTROMETRY; VIBRATION;

ANISOLES; CARBON; COMPUTER SIMULATION; HYDROGEN; HYDROGEN BONDING; MODELS, BIOLOGICAL; MOLECULAR CONFORMATION; QUANTUM THEORY; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; SPECTRUM ANALYSIS, RAMAN; VIBRATION;

EID: 68949156499     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2009.05.018     Document Type: Article

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