Hydroxyflavone-containing polymers: theoretical prediction of spectral and nonlinear optical properties
In order to evaluate spectral and nonlinear optical (NLO) properties of polymers and polymer composites containing natural hydroxyflavones as chain fragments or dopants, a theoretical analysis of absorption spectra of flavones, as well as calculations of values of their first hyperpolarizabilities a...
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| Дата: | 2019 |
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| Автори: | , , |
| Формат: | Стаття |
| Мова: | English |
| Опубліковано: |
НТК «Інститут монокристалів» НАН України
2019
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| Назва видання: | Functional Materials |
| Теми: | |
| Онлайн доступ: | http://dspace.nbuv.gov.ua/handle/123456789/157412 |
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| Назва журналу: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Цитувати: | Hydroxyflavone-containing polymers: theoretical prediction of spectral and nonlinear optical properties / D. Mishurov, A. Voronkin, A. Roshal // Functional Materials. — 2019. — Т. 26, № 1. — С. 164-173. — Бібліогр.: 29 назв. — англ. |
Репозитарії
Digital Library of Periodicals of National Academy of Sciences of Ukraine| id |
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irk-123456789-1574122019-06-21T01:25:00Z Hydroxyflavone-containing polymers: theoretical prediction of spectral and nonlinear optical properties Mishurov, D. Voronkin, A. Roshal, A. Modeling and simulation In order to evaluate spectral and nonlinear optical (NLO) properties of polymers and polymer composites containing natural hydroxyflavones as chain fragments or dopants, a theoretical analysis of absorption spectra of flavones, as well as calculations of values of their first hyperpolarizabilities and bond length alternation coefficients (BLA), were carried out. It has been shown that embedding hydroxyflavone fragments into polymer chains, glycidylation flavone hydroxyl groups, as well as twisting flavone molecules, result in improvement of optical properties of the flavone-containing polymers, namely in widening their transparency range into short-wavelength spectral region. The presence of basic amino-containing hardeners in polymers and polymer composites leads to a partial ionization of the flavone hydroxyl groups and, consequently, narrowing transparency range. The analysis of theoretical values - first hyperpolarizability values and BLA coefficients showed that natural polyhydroxyflavones are perspective chromophores for development of materials having a high NLO activity. 2019 Article Hydroxyflavone-containing polymers: theoretical prediction of spectral and nonlinear optical properties / D. Mishurov, A. Voronkin, A. Roshal // Functional Materials. — 2019. — Т. 26, № 1. — С. 164-173. — Бібліогр.: 29 назв. — англ. 1027-5495 DOI:https://doi.org/10.15407/fm26.01.164 http://dspace.nbuv.gov.ua/handle/123456789/157412 en Functional Materials НТК «Інститут монокристалів» НАН України |
| institution |
Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| collection |
DSpace DC |
| language |
English |
| topic |
Modeling and simulation Modeling and simulation |
| spellingShingle |
Modeling and simulation Modeling and simulation Mishurov, D. Voronkin, A. Roshal, A. Hydroxyflavone-containing polymers: theoretical prediction of spectral and nonlinear optical properties Functional Materials |
| description |
In order to evaluate spectral and nonlinear optical (NLO) properties of polymers and polymer composites containing natural hydroxyflavones as chain fragments or dopants, a theoretical analysis of absorption spectra of flavones, as well as calculations of values of their first hyperpolarizabilities and bond length alternation coefficients (BLA), were carried out. It has been shown that embedding hydroxyflavone fragments into polymer chains, glycidylation flavone hydroxyl groups, as well as twisting flavone molecules, result in improvement of optical properties of the flavone-containing polymers, namely in widening their transparency range into short-wavelength spectral region. The presence of basic amino-containing hardeners in polymers and polymer composites leads to a partial ionization of the flavone hydroxyl groups and, consequently, narrowing transparency range. The analysis of theoretical values - first hyperpolarizability values and BLA coefficients showed that natural polyhydroxyflavones are perspective chromophores for development of materials having a high NLO activity. |
| format |
Article |
| author |
Mishurov, D. Voronkin, A. Roshal, A. |
| author_facet |
Mishurov, D. Voronkin, A. Roshal, A. |
| author_sort |
Mishurov, D. |
| title |
Hydroxyflavone-containing polymers: theoretical prediction of spectral and nonlinear optical properties |
| title_short |
Hydroxyflavone-containing polymers: theoretical prediction of spectral and nonlinear optical properties |
| title_full |
Hydroxyflavone-containing polymers: theoretical prediction of spectral and nonlinear optical properties |
| title_fullStr |
Hydroxyflavone-containing polymers: theoretical prediction of spectral and nonlinear optical properties |
| title_full_unstemmed |
Hydroxyflavone-containing polymers: theoretical prediction of spectral and nonlinear optical properties |
| title_sort |
hydroxyflavone-containing polymers: theoretical prediction of spectral and nonlinear optical properties |
| publisher |
НТК «Інститут монокристалів» НАН України |
| publishDate |
2019 |
| topic_facet |
Modeling and simulation |
| url |
http://dspace.nbuv.gov.ua/handle/123456789/157412 |
| citation_txt |
Hydroxyflavone-containing polymers: theoretical prediction of spectral and nonlinear optical properties / D. Mishurov, A. Voronkin, A. Roshal // Functional Materials. — 2019. — Т. 26, № 1. — С. 164-173. — Бібліогр.: 29 назв. — англ. |
| series |
Functional Materials |
| work_keys_str_mv |
AT mishurovd hydroxyflavonecontainingpolymerstheoreticalpredictionofspectralandnonlinearopticalproperties AT voronkina hydroxyflavonecontainingpolymerstheoreticalpredictionofspectralandnonlinearopticalproperties AT roshala hydroxyflavonecontainingpolymerstheoreticalpredictionofspectralandnonlinearopticalproperties |
| first_indexed |
2023-05-20T17:52:35Z |
| last_indexed |
2023-05-20T17:52:35Z |
| _version_ |
1796154296586207232 |