Quantum chemical DFT and spectroscopic study of a push-pull chromophore for second-order nonlinear optics containing bithiophene as the electron relay

Journal of Molecular Structure: THEOCHEM

Volumn 709, Issue 1-3 SPEC. ISS., 2004, Pages 187-193

  Delgado, M C Ruiz ^a   Hernandez V ^a   Casado, J ^a   Navarrete, J T López ^a   Raimundo, J M ^b   Blanchard, P ^b   Roncali, J ^b  

^a UNIVERSITY OF MÁLAGA   (Spain)

^b UNIVERSITÉ D'ANGERS   (France)

Author keywords

Density functional theory; Intramolecular charge transfer; IR and Raman spectroscopies; Oligothiophenes; Push pull conjugated NLO phores

Indexed keywords

5 [1,3 BIS(DICYANOMETHYLIDENE)INDAN 2 YLIDENEMETHYL] 5' [4 (N,N DIMETHYLAMINOBENZYLIDENE)METHYL] 2,2' BITHIOPHENE; THIOPHENE DERIVATIVE; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ANALYTIC METHOD; CHROMATOPHORE; CONFERENCE PAPER; CONJUGATION; DENSITY FUNCTIONAL THEORY; ELECTRON TRANSPORT; GEOMETRY; INFRARED SPECTROSCOPY; MOLECULAR MECHANICS; OPTICS; RAMAN SPECTROMETRY; ULTRAVIOLET SPECTROSCOPY;

EID: 11144351849     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2003.10.082     Document Type: Conference Paper

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