Density functional theory studies on the structure, spectra (FT-IR, FT-Raman, and UV) and first order molecular hyperpolarizability of 2-hydroxy-3-methoxy-N-(2-chloro-benzyl)-benzaldehyde-imine: Comparison to experimental data

Vibrational Spectroscopy

Volumn 64, Issue , 2013, Pages 134-147

  Agarwal, Parag ^a   Choudhary, Neetu ^a   Gupta, Archana ^a   Tandon, Poonam ^b  

^a M J P ROHILKHAND UNIVERSITY   (India)

^b UNIVERSITY OF LUCKNOW   (India)

Author keywords

2 Hydroxy 3 methoxy N (2 chlorobenzyl) benzaldehyde imine; DFT; FT IR; FT Raman; NBO; Non linear optical properties

Indexed keywords

CONTINUUM MECHANICS; GEOMETRY; GROUND STATE; MOLECULES; NITROGEN COMPOUNDS; NUCLEAR MAGNETIC RESONANCE; OPTICAL PROPERTIES; OSCILLATORS (ELECTRONIC); POTENTIAL ENERGY; QUANTUM CHEMISTRY; RAMAN SCATTERING; SOLVENTS; VIBRATIONAL SPECTRA;

2-HYDROXY-3-METHOXY-N-(2-CHLOROBENZYL)-BENZALDEHYDE-IMINE; DENSITY FUNCTIONAL THEORY STUDIES; ELECTROSTATIC POTENTIAL SURFACE; FT-RAMAN; MOLECULAR HYPERPOLARIZABILITIES; NON-LINEAR OPTICAL PROPERTIES; NUCLEAR MAGNETIC RESONANCE CHEMICAL SHIFTS; POTENTIAL ENERGY DISTRIBUTION;

DENSITY FUNCTIONAL THEORY;

EID: 84880488182     PISSN: 09242031     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.vibspec.2012.11.005     Document Type: Article

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