Vibrational spectroscopic, first-order hyperpolarizability and HOMO, LUMO studies of 1,2-dichloro-4-nitrobenzene based on Hartree-Fock and DFT calculations

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 79, Issue 2, 2011, Pages 376-383

  Arivazhagan, M ^a   Jeyavijayan, S ^b  

^a Government Arts College   (India)

^b J J COLLEGE OF ENGINEERING AND TECHNOLOGY   (India)

Author keywords

1,2 dichloro 4 nitrobenzene; DFT calculation; FT Raman; FTIR; HOMO; LUMO

Indexed keywords

1,2-DICHLORO-4-NITROBENZENE; DFT CALCULATION; FT-RAMAN; FTIR; HOMO; LUMO;

CHARGE TRANSFER; DENSITY FUNCTIONAL THEORY; FOURIER TRANSFORMS; ION EXCHANGE; NITROBENZENE; QUANTUM CHEMISTRY; QUANTUM THEORY; RAMAN SCATTERING; RAMAN SPECTROSCOPY;

CALCULATIONS;

1,2 DICHLORO 4 NITROBENZENE; 1,2-DICHLORO-4-NITROBENZENE; NITROBENZENE DERIVATIVE;

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

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

EID: 79955923233     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2011.03.036     Document Type: Article

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