The spectroscopic (FTIR, FT-IR gas phase and FT-Raman), first order hyperpolarizabilities, NMR analysis of 2,4-dichloroaniline by ab initio HF and density functional methods

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 73, Issue 1, 2009, Pages 11-19

  Sundaraganesan, N ^a   Karpagam, J ^a   Sebastian, S ^a   Cornard, J P ^b  

^a ANNAMALAI UNIVERSITY   (India)

^b UNIVERSITÉ DES SCIENCES ET TECHNOLOGIES DE LILLE   (France)

Author keywords

2,4 Dichloroaniline; 13C NMR; DFT; Hyperpolaraziblity; IR; IR (gas phase); NMR spectra; Raman; Vibrational frequencies

Indexed keywords

2,4-DICHLOROANILINE; 13C NMR; DFT; HYPERPOLARAZIBLITY; IR; IR (GAS PHASE); NMR SPECTRA; RAMAN; VIBRATIONAL FREQUENCIES;

ELECTRIC DIPOLE MOMENTS; FOURIER TRANSFORM INFRARED SPECTROSCOPY; GAS DYNAMICS; GASES; MOLECULAR SPECTROSCOPY; MOLECULES; NUCLEAR MAGNETIC RESONANCE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROBABILITY DENSITY FUNCTION; RAMAN SCATTERING; RAMAN SPECTROSCOPY; SPECTROSCOPIC ANALYSIS;

DENSITY FUNCTIONAL THEORY;

2,4 DICHLOROANILINE; 2,4-DICHLOROANILINE; ANILINE DERIVATIVE; CARBON; ION;

ARTICLE; CHEMISTRY; COMPUTER SIMULATION; GAS; INFRARED SPECTROPHOTOMETRY; METHODOLOGY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; RAMAN SPECTROMETRY; VIBRATION;

ANILINE COMPOUNDS; CARBON; COMPUTER SIMULATION; GASES; IONS; MAGNETIC RESONANCE SPECTROSCOPY; SPECTROPHOTOMETRY, INFRARED; SPECTRUM ANALYSIS, RAMAN; VIBRATION;

EID: 62849110530     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2009.01.007     Document Type: Article

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