FT-IR and FT-Raman spectroscopic investigation, computed vibrational frequency analysis and IR intensity and Raman activity peak resemblance analysis on 2-nitroanisole using HF and DFT (B3LYP and B3PW91) calculations

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 83, Issue 1, 2011, Pages 8-16

  Prabhu, T ^a   Periandy, S ^b   Ramalingam, S ^a  

^a PRIST UNIVERSITY   (India)

^b Tagore Arts College   (India)

Author keywords

2 Nitroanisole; B3LYP; B3PW91; Back donation and conjugation; Harmonic vibrational frequencies

Indexed keywords

2-NITROANISOLE; B3LYP; B3PW91; BACK-DONATION AND CONJUGATION; HARMONIC VIBRATIONAL FREQUENCIES;

MOLECULAR VIBRATIONS; RAMAN SCATTERING; RAMAN SPECTROSCOPY; SPECTRUM ANALYSIS;

SPECTROSCOPIC ANALYSIS;

2 NITROANISOLE; 2-NITROANISOLE; ANISOLE DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; INFRARED SPECTROSCOPY; QUANTUM THEORY; RAMAN SPECTROMETRY;

ANISOLES; MODELS, MOLECULAR; QUANTUM THEORY; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; SPECTRUM ANALYSIS, RAMAN;

EID: 80054035324     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2011.04.004     Document Type: Article

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