Vibrational analysis of 4-chloro-3-nitrobenzonitrile by quantum chemical calculations

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 107, Issue , 2013, Pages 248-255

  Sert, Yusuf ^a   Çirak, Çaǧri ^b   Ucun, Fatih ^c  

^a BOZOK UNIVERSITY   (Turkey)

^b ERZINCAN UNIVERSITY   (Turkey)

^c SULEYMAN DEMIREL UNIVERSITY   (Turkey)

Author keywords

Raman spectra; 4 Chloro 3 nitrobenzonitrile; DFT; FT IR spectra; HF

Indexed keywords

4-CHLORO-3-NITROBENZONITRILE; ANHARMONIC VIBRATIONAL FREQUENCY; DFT; FT-IR SPECTRUM; HIGHEST OCCUPIED MOLECULAR ORBITAL; LOWEST UNOCCUPIED MOLECULAR ORBITAL; POTENTIAL ENERGY DISTRIBUTION; QUANTUM CHEMICAL CALCULATIONS;

CALCULATIONS; HAFNIUM; QUANTUM CHEMISTRY; RAMAN SCATTERING;

CHEMICAL ANALYSIS;

3 NITROBENZONITRILE; 3-NITROBENZONITRILE; NITRILE; NITROBENZENE DERIVATIVE;

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

HALOGENATION; MODELS, MOLECULAR; NITRILES; NITROBENZENES; QUANTUM THEORY; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; SPECTRUM ANALYSIS, RAMAN;

EID: 84874147810     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2013.01.046     Document Type: Article

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