About: Efficient pi-electron conjugated push-pull nonlinear optical chromophore 1-(4-methoxyphenyl)-3-(3,4-dimethoxyphenyl)-2-propen-1-one: A vibrational spectral study

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About: Efficient pi-electron conjugated push-pull nonlinear optical chromophore 1-(4-methoxyphenyl)-3-(3,4-dimethoxyphenyl)-2-propen-1-one: A vibrational spectral study Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	As part of the efforts for the design new organic nonlinear optical (NLO) materials with high efficiency for present day technological requirements, a comprehensive investigation on the intramolecular charge transfer (ICT) of an efficient pi-conjugated potential push-pull NLO chromophore, 1-(4-methoxyphenyl)-3-(3,4-dimethoxyphenyl)-2-propen-1-one to a strong electron acceptor group through the pi-conjugated bridge has been carried out from their vibrational spectra. The NIR FT-Raman and FT-IR spectra supported by the density functional theory (DFT) quantum chemical computations have been employed to analyze the effects of intramolecular charge transfer on the geometries and the vibrational modes contributing to the linear electro-optic effect of the organic NLO material. As part of the efforts for the design new organic nonlinear optical (NLO) materials with high efficiency for present day technological requirements, a comprehensive investigation on the intramolecular charge transfer (ICT) of an efficient pi-conjugated potential push-pull NLO chromophore, 1-(4-methoxyphenyl)-3-(3,4-dimethoxyphenyl)-2-propen-1-one to a strong electron acceptor group through the pi-conjugated bridge has been carried out from their vibrational spectra. The NIR FT-Raman and FT-IR spectra supported by the density functional theory (DFT) quantum chemical computations have been employed to analyze the effects of intramolecular charge transfer on the geometries and the vibrational modes contributing to the linear electro-optic effect of the organic NLO material. (en)
Title	Efficient pi-electron conjugated push-pull nonlinear optical chromophore 1-(4-methoxyphenyl)-3-(3,4-dimethoxyphenyl)-2-propen-1-one: A vibrational spectral study Efficient pi-electron conjugated push-pull nonlinear optical chromophore 1-(4-methoxyphenyl)-3-(3,4-dimethoxyphenyl)-2-propen-1-one: A vibrational spectral study (en)
skos:prefLabel	Efficient pi-electron conjugated push-pull nonlinear optical chromophore 1-(4-methoxyphenyl)-3-(3,4-dimethoxyphenyl)-2-propen-1-one: A vibrational spectral study Efficient pi-electron conjugated push-pull nonlinear optical chromophore 1-(4-methoxyphenyl)-3-(3,4-dimethoxyphenyl)-2-propen-1-one: A vibrational spectral study (en)
skos:notation	RIV/00216208:11310/09:00012838!RIV10-MSM-11310___
http://linked.open...avai/riv/aktivita	V
http://linked.open...avai/riv/aktivity	V
http://linked.open...iv/cisloPeriodika	1
http://linked.open...vai/riv/dodaniDat	2010
http://linked.open...aciTvurceVysledku	Němec, Ivan
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Univerzita Karlova v Praze / Přírodovědecká fakulta
http://linked.open...dnocenehoVysledku	312517
http://linked.open...ai/riv/idVysledku	RIV/00216208:11310/09:00012838
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	Enhanced Raman-scattering; ab-initio calculations; NIR-FT Raman; infrared-spectra; hydrogen-bonds; crystal; growth; acid; DFT (en)
http://linked.open.../riv/klicoveSlovo	acid growth hydrogen-bonds DFT ab-initio calculations crystal NIR-FT Raman Enhanced Raman-scattering infrared-spectra
http://linked.open...odStatuVydavatele	NL - Nizozemsko
http://linked.open...ontrolniKodProRIV	[036495DFE2E3]
http://linked.open...i/riv/nazevZdroje	Journal of Molecular Structure
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	7 (xsd:int)
http://linked.open...UplatneniVysledku	2009
http://linked.open...v/svazekPeriodika	917
http://linked.open...iv/tvurceVysledku	Němec, Ivan Sajan, D. Shettigar, Venkataraya Abraham, Jose P. Dharmaprakash, S.M.. Hubert Joe, I. Jayakumar, V.S..
http://linked.open...ain/vavai/riv/wos	000262117600005
issn	0022-2860
number of pages	10 (xsd:int)
http://localhost/t...ganizacniJednotka	11310
is http://linked.open...avai/riv/vysledek of	Efficient pi-electron conjugated push-pull nonlinear optical chromophore 1-(4-methoxyphenyl)-3-(3,4-dimethoxyphenyl)-2-propen-1-one: A vibrational spectral study Efficient pi-electron conjugated push-pull nonlinear optical chromophore 1-(4-methoxyphenyl)-3-(3,4-dimethoxyphenyl)-2-propen-1-one: A vibrational spectral study Efficient pi-electron conjugated push-pull nonlinear optical chromophore 1-(4-methoxyphenyl)-3-(3,4-dimethoxyphenyl)-2-propen-1-one: A vibrational spectral study Efficient pi-electron conjugated push-pull nonlinear optical chromophore 1-(4-methoxyphenyl)-3-(3,4-dimethoxyphenyl)-2-propen-1-one: A vibrational spectral study

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