First order molecular hyperpolarizabilities and intramolecular charge transfer from the vibrational spectra of NLO material: ethyl-3-(3, 4-dihydroxyphenyl)-2-propenoate
The result's identifiers
Result code in 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>
Result on the web
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DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
First order molecular hyperpolarizabilities and intramolecular charge transfer from the vibrational spectra of NLO material: ethyl-3-(3, 4-dihydroxyphenyl)-2-propenoate
Original language 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-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.
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Result continuities
Project
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Continuities
V - Vyzkumna aktivita podporovana z jinych verejnych zdroju
Others
Publication year
2009
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Journal of Raman Spectroscopy
ISSN
0377-0486
e-ISSN
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Volume of the periodical
40
Issue of the periodical within the volume
12
Country of publishing house
GB - UNITED KINGDOM
Number of pages
9
Pages from-to
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UT code for WoS article
000273622500014
EID of the result in the Scopus database
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