About: First order molecular hyperpolarizabilities and intramolecular charge transfer from the vibrational spectra of NLO material: ethyl-3-(3, 4-dihydroxyphenyl)-2-propenoate

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About: First order molecular hyperpolarizabilities and intramolecular charge transfer from the vibrational spectra of NLO material: ethyl-3-(3, 4-dihydroxyphenyl)-2-propenoate 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 of new organic nonlinear optical (NLO) materials with high efficiency for present day technological requirements, a comprehensive investigation on the intramolecular charge transfer (CT) of an efficient pi-conjugated potential push-pull NLO chromophore, ethyl-3-(3,4-dihydroxyphenyl)-2-propenoate(EDP) to a strong electron-acceptor group through the pi-conjugated bridge has been carried out from their vibrational spectra. The first hyperpolarizabilities are investigated by ab initio method. The NLO efficiency is experimentally measured by powder efficiency experiment. The strongest vibrational modes contributing to the electro-optic effect from the simultaneous infrared (IR) and Raman activities have been identified and analyzed unambiguously. The influence of electronic effects, hyperconjugation and backdonation, on the C-H stretching vibrations been extensively investigated. As part of the efforts for the design of new organic nonlinear optical (NLO) materials with high efficiency for present day technological requirements, a comprehensive investigation on the intramolecular charge transfer (CT) of an efficient pi-conjugated potential push-pull NLO chromophore, ethyl-3-(3,4-dihydroxyphenyl)-2-propenoate(EDP) to a strong electron-acceptor group through the pi-conjugated bridge has been carried out from their vibrational spectra. The first hyperpolarizabilities are investigated by ab initio method. The NLO efficiency is experimentally measured by powder efficiency experiment. The strongest vibrational modes contributing to the electro-optic effect from the simultaneous infrared (IR) and Raman activities have been identified and analyzed unambiguously. The influence of electronic effects, hyperconjugation and backdonation, on the C-H stretching vibrations been extensively investigated. (en)
Title	First order molecular hyperpolarizabilities and intramolecular charge transfer from the vibrational spectra of NLO material: ethyl-3-(3, 4-dihydroxyphenyl)-2-propenoate First order molecular hyperpolarizabilities and intramolecular charge transfer from the vibrational spectra of NLO material: ethyl-3-(3, 4-dihydroxyphenyl)-2-propenoate (en)
skos:prefLabel	First order molecular hyperpolarizabilities and intramolecular charge transfer from the vibrational spectra of NLO material: ethyl-3-(3, 4-dihydroxyphenyl)-2-propenoate First order molecular hyperpolarizabilities and intramolecular charge transfer from the vibrational spectra of NLO material: ethyl-3-(3, 4-dihydroxyphenyl)-2-propenoate (en)
skos:notation	RIV/00216208:11310/09:10000241!RIV10-MSM-11310___
http://linked.open...avai/riv/aktivita	V
http://linked.open...avai/riv/aktivity	V
http://linked.open...iv/cisloPeriodika	12
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	315129
http://linked.open...ai/riv/idVysledku	RIV/00216208:11310/09:10000241
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	Raman-spectroscopy; caffeic acid; nonlinear optics; chlorogenic acid; conjugation; chromatography; chromophores; stilbenes; polymers; analogs (en)
http://linked.open.../riv/klicoveSlovo	polymers conjugation nonlinear optics analogs Raman-spectroscopy chromatography chromophores stilbenes chlorogenic acid caffeic acid
http://linked.open...odStatuVydavatele	GB - Spojené království Velké Británie a Severního Irska
http://linked.open...ontrolniKodProRIV	[16C9B2A11CB5]
http://linked.open...i/riv/nazevZdroje	Journal of Raman Spectroscopy
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	40
http://linked.open...iv/tvurceVysledku	Němec, Ivan Ravikumar, C. Sajan, D. Hubert Joe, I. Bena Jothy, V. Rastogi, V.K.. Xia, Chun-Nian
http://linked.open...ain/vavai/riv/wos	000273622500014
issn	0377-0486
number of pages	9 (xsd:int)
http://localhost/t...ganizacniJednotka	11310

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