КФУ. Карточка публикации. Tuning of quadratic nonlinear optical activity of chromophores with indolizine donor moiety and polyene π-bridge on the basis of electrochemical data

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TUNING OF QUADRATIC NONLINEAR OPTICAL ACTIVITY OF CHROMOPHORES WITH INDOLIZINE DONOR MOIETY AND POLYENE π-BRIDGE ON THE BASIS OF ELECTROCHEMICAL DATA

Форма представления

Статьи в зарубежных журналах и сборниках

Год публикации

2023

Язык

русский

Авторы, сотрудники КФУ

Балакина Марина Юрьевна, автор

Другие авторы

Будникова Юлия Германовна, автор

Дудкина Юлия , автор

Исламова Лилия Наильевна, автор

Калинин Алексей Александрович, автор

Левицкая Алина Ибрагимовна, автор

Фазлеева Гузяль Мидихатовна, автор

Фоминых Ольга Дмитриевна, автор

Библиографическое описание на языке оригинала

5. Y.H. Budnikova, Y.B. Dudkina, A.A. Kalinin, G.M. Fazleeva, L.N. Islamova, A.I. Levitskaya, O.D. Fominykh, M.Yu. Balakina. Electrochimica Acta 459 (2023) 142547 (11 p.).

Аннотация

Electrochemical data (CV peak potentials, DPV potentials, frontier orbitals energy values and energy gap ΔEel) were used to characterize chromophores with isomeric indolizine donor moieties, different acceptors and polyene π-bridges of various length. A good correlation was found between the electrochemical ΔEel, optical ΔEopt and calculated ΔEqch (DFT) characteristics. Electrochemical data make it possible to determine the energies of frontier molecular orbitals independently, in contrast to ΔEopt one, calculated from λmax (UV-vis spectra). This advantage allows us to understand the origin of the chromophore energy gap changes when the nature of the donor, acceptor, or bridge varies. The polyene π-bridges are shown to provide better charge transfer ability compared to the hetarene-containing bridges; they are responsible for chromophore energy characteristics variation with changes in building blocks. The effect of the bridge length and the donor/acceptor end fragments is discussed. Indolizine donors produce NLO-chromophores with high first hyperpolarizability, β. The smallest ΔEel = 0.91 eV and the highest first hyperpolarizability - 1007⋅10− 30 esu are achieved for a chromophore with 1- methyl-2-(4-methoxyphenyl)indolizin-3-yl donor, 3-cyano-2-dicyanomethylene-5,5-dimethyl-2,5-dihydrofuran 4-yl acceptor and octatetraene π-bridge. The correlation between β and 1/(ΔEel) 2 is nearly linear. Polyene π-bridges provide high sensitivity of redox potentials to the nature of the donor and acceptor compared to chromophores with hetarene-containing bridges.

Ключевые слова

Electrochemistry, Voltammetry, Nonlinear optical сhromophore, Indolizine donor , Polyene π-bridge

Название журнала

ELECTROCHIMICA ACTA

URL

https://doi.org/10.1016/j.electacta.2023.142547

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https://repository.kpfu.ru/?p_id=283037

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Полная запись метаданных

Поле DC	Значение	Язык
dc.contributor.author	Балакина Марина Юрьевна	ru_RU
dc.contributor.author	Будникова Юлия Германовна	ru_RU
dc.contributor.author	Дудкина Юлия	ru_RU
dc.contributor.author	Исламова Лилия Наильевна	ru_RU
dc.contributor.author	Калинин Алексей Александрович	ru_RU
dc.contributor.author	Левицкая Алина Ибрагимовна	ru_RU
dc.contributor.author	Фазлеева Гузяль Мидихатовна	ru_RU
dc.contributor.author	Фоминых Ольга Дмитриевна	ru_RU
dc.date.accessioned	2023-01-01T00:00:00Z	ru_RU
dc.date.available	2023-01-01T00:00:00Z	ru_RU
dc.date.issued	2023	ru_RU
dc.identifier.citation	5. Y.H. Budnikova, Y.B. Dudkina, A.A. Kalinin, G.M. Fazleeva, L.N. Islamova, A.I. Levitskaya, O.D. Fominykh, M.Yu. Balakina. Electrochimica Acta 459 (2023) 142547 (11 p.).	ru_RU
dc.identifier.uri	https://repository.kpfu.ru/?p_id=283037	ru_RU
dc.description.abstract	ELECTROCHIMICA ACTA	ru_RU
dc.description.abstract	Electrochemical data (CV peak potentials, DPV potentials, frontier orbitals energy values and energy gap ΔEel) were used to characterize chromophores with isomeric indolizine donor moieties, different acceptors and polyene π-bridges of various length. A good correlation was found between the electrochemical ΔEel, optical ΔEopt and calculated ΔEqch (DFT) characteristics. Electrochemical data make it possible to determine the energies of frontier molecular orbitals independently, in contrast to ΔEopt one, calculated from λmax (UV-vis spectra). This advantage allows us to understand the origin of the chromophore energy gap changes when the nature of the donor, acceptor, or bridge varies. The polyene π-bridges are shown to provide better charge transfer ability compared to the hetarene-containing bridges; they are responsible for chromophore energy characteristics variation with changes in building blocks. The effect of the bridge length and the donor/acceptor end fragments is discussed. Indolizine donors produce NLO-chromophores with high first hyperpolarizability, β. The smallest ΔEel = 0.91 eV and the highest first hyperpolarizability - 1007⋅10− 30 esu are achieved for a chromophore with 1- methyl-2-(4-methoxyphenyl)indolizin-3-yl donor, 3-cyano-2-dicyanomethylene-5,5-dimethyl-2,5-dihydrofuran 4-yl acceptor and octatetraene π-bridge. The correlation between β and 1/(ΔEel) 2 is nearly linear. Polyene π-bridges provide high sensitivity of redox potentials to the nature of the donor and acceptor compared to chromophores with hetarene-containing bridges.	ru_RU
dc.language.iso	ru	ru_RU
dc.subject	Electrochemistry	ru_RU
dc.subject	Voltammetry	ru_RU
dc.subject	Nonlinear optical сhromophore	ru_RU
dc.subject	Indolizine donor	ru_RU
dc.subject	Polyene π-bridge	ru_RU
dc.title	Tuning of quadratic nonlinear optical activity of chromophores with indolizine donor moiety and polyene π-bridge on the basis of electrochemical data	ru_RU
dc.type	Статьи в зарубежных журналах и сборниках	ru_RU