Hydroxyflavone-containing polymers: theoretical prediction of spectral and nonlinear optical properties

dc.contributor.authorMishurov, D. O.en
dc.contributor.authorVoronkin, A. A.en
dc.contributor.authorRoshal, O. D.en
dc.date.accessioned2022-12-22T19:01:54Z
dc.date.available2022-12-22T19:01:54Z
dc.date.issued2019
dc.description.abstractIn 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.en
dc.identifier.citationMishurov D. O. Hydroxyflavone-containing polymers: theoretical prediction of spectral and nonlinear optical properties / D. Mishurov, A. Voronkin, O. Roshal // Functional Materials. – 2019. – Vol. 26, № 1. – P. 164-173.en
dc.identifier.doidoi.org/10.15407/fm26.01.164
dc.identifier.urihttps://repository.kpi.kharkov.ua/handle/KhPI-Press/60424
dc.language.isoen
dc.publisherSTC "Institute for Single Crystals"en
dc.subjecthydroxyflavonesen
dc.subjectflavone-based chromophoresen
dc.subjectabsorption spectraen
dc.subjecthyperpolarizabilityen
dc.subjectnon-linear opticsen
dc.subjectpolymers and polymer compositesen
dc.subjectгідроксифлавониuk
dc.subjectхромофори на основі флавонівuk
dc.subjectспектри поглинанняuk
dc.subjectгіперполяризовністьuk
dc.subjectнелінійна оптикаuk
dc.subjectполімери та полімерні композитиuk
dc.titleHydroxyflavone-containing polymers: theoretical prediction of spectral and nonlinear optical propertiesen
dc.typeArticleen

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