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

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F09%3A10000241" target="_blank" >RIV/00216208:11310/09:10000241 - isvavai.cz</a>

Výsledek na webu

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DOI - Digital Object Identifier

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Jazyk výsledku

angličtina

Název v původním jazyce

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

Popis výsledku v původním jazyce

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-conjugatedpotential 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 identifiedand analyzed unambiguously. The influence of electronic effects, hyperconjugation and backdonation, on the C-H stretching vibrations been extensively investigated.

Název v anglickém jazyce

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

Popis výsledku anglicky

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-conjugatedpotential 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 identifiedand analyzed unambiguously. The influence of electronic effects, hyperconjugation and backdonation, on the C-H stretching vibrations been extensively investigated.

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

CF - Fyzikální chemie a teoretická chemie

OECD FORD obor

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Projekt

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Návaznosti

V - Vyzkumna aktivita podporovana z jinych verejnych zdroju

Rok uplatnění

2009

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Journal of Raman Spectroscopy

ISSN

0377-0486

e-ISSN

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Svazek periodika

40

Číslo periodika v rámci svazku

12

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

9

Strana od-do

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Kód UT WoS článku

000273622500014

EID výsledku v databázi Scopus

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