Experimental and theoretical (FT-IR, FT-Raman, UV-vis, NMR) spectroscopic analysis and first order hyperpolarizability studies of non-linear optical material: (2E)-3-[4-(methylsulfanyl) phenyl]-1-(4-nitrophenyl) prop-2-en-1-one using density functional theory

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 130, Issue , 2014, Pages 41-53

  Kumar, Amit ^a,b   Deval, Vipin ^b   Tandon, Poonam ^a   Gupta, Archana ^b   D'Silva, E Deepak ^c  

^a UNIVERSITY OF LUCKNOW   (India)

^b M J P ROHILKHAND UNIVERSITY   (India)

^c St Philomena College   (India)

Author keywords

(2E) 3 4 (methylsulfanyl) phenyl 1 (4 nitrophenyl) prop 2 en 1 one; Density functional theory; Hyperpolarizability; NMR; UV vis analysis; Vibrational analysis

Indexed keywords

DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; MOLECULES; NUCLEAR MAGNETIC RESONANCE; POLARIZATION; SPECTROSCOPIC ANALYSIS; STRUCTURAL OPTIMIZATION;

(2E)-3-[4-(METHYLSULFANYL) PHENYL]-1-(4-NITROPHENYL) PROP-2-EN-1-ONE; FIRST-ORDER HYPERPOLARIZABILITY; HYPER-POLARIZABILITY; MOLECULAR ELECTROSTATIC POTENTIALS; POTENTIAL ENERGY DISTRIBUTION; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; UV-VIS ANALYSIS; VIBRATIONAL ANALYSIS;

CHEMICAL BONDS;

4-NITROPHENYL; CARBON; CHALCONE DERIVATIVE; NITROGEN DIOXIDE; NITROPHENOL; OXYGEN;

CHEMISTRY; CONFORMATION; INFRARED SPECTROSCOPY; MAGNETISM; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; OPTICS; PRESSURE; RAMAN SPECTROMETRY; STATIC ELECTRICITY; TEMPERATURE; THERMODYNAMICS; TIME; ULTRAVIOLET SPECTROPHOTOMETRY; X RAY DIFFRACTION;

CARBON; CHALCONES; MAGNETIC RESONANCE SPECTROSCOPY; MAGNETICS; MOLECULAR CONFORMATION; NITROGEN DIOXIDE; NITROPHENOLS; OPTICS AND PHOTONICS; OXYGEN; PRESSURE; SPECTROPHOTOMETRY, ULTRAVIOLET; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; SPECTRUM ANALYSIS, RAMAN; STATIC ELECTRICITY; TEMPERATURE; THERMODYNAMICS; TIME FACTORS; X-RAY DIFFRACTION;

EID: 84899082774     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2014.03.072     Document Type: Article

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