FT-IR, FT-Raman spectra and other molecular properties of 3,5-dichlorobenzonitrile: A DFT study

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 116, Issue , 2013, Pages 509-517

  Alcolea Palafox, M ^a   Bena Jothy, V ^c,e   Singhal, Surabhi ^d   Hubert Joe, I ^c   Kumar, Satendra ^d   Rastogi, V K ^b,d  

^a UNIVERSIDAD COMPLUTENSE DE MADRID   (Spain)

^b Indian Spectroscopy Society   (India)

^c MAR IVANIOS COLLEGE   (India)

^d CH CHARAN SINGH UNIVERSITY   (India)

^e WOMEN S CHRISTIAN COLLEGE   (India)

Author keywords

3,5 Dichlorobenzonitrile; DFT; Dichlorobenzonitrile; IR; Raman; Scaling wavenumbers

Indexed keywords

ELECTRONIC STRUCTURE; IRIDIUM; MOLECULES; PERTURBATION TECHNIQUES; POTENTIAL ENERGY; QUANTUM CHEMISTRY; RAMAN SCATTERING;

3,5-DICHLOROBENZONITRILE; DICHLOROBENZONITRILE; HYBRID DENSITY FUNCTIONAL THEORY; POTENTIAL ENERGY DISTRIBUTION; QUANTUM CHEMICAL STUDIES; RAMAN; SECOND ORDER PERTURBATION THEORY; WAVE NUMBERS;

DENSITY FUNCTIONAL THEORY;

3,5 DICHLOROBENZONITRILE; 3,5-DICHLOROBENZONITRILE; NITRILE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; DFT; DICHLOROBENZONITRILE; INFRARED SPECTROSCOPY; IR; QUANTUM THEORY; RAMAN; RAMAN SPECTROMETRY; SCALING WAVENUMBERS; THERMODYNAMICS;

3,5-DICHLOROBENZONITRILE; DFT; DICHLOROBENZONITRILE; IR; RAMAN; SCALING WAVENUMBERS;

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

EID: 84884900137     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2013.07.028     Document Type: Article

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