Solvatochromic effect on UV-vis absorption and fluorescence emission spectra, second- and third-order nonlinear optical properties of dicyanovinyl-substituted thienylpyrroles: DFT and TDDFT study
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- 作者：Davut Avcı ; davci@sakarya.edu.tr" class="auth_mail" title="E-mail the corresponding author ; Ö ; mer Tamer ; Yusuf Atalay
- 关键词：Dicyanovinyl-thienylpyrroles ; UV&ndash ; vis absorption and fluorescence emission spectra ; NLO ; TD-DFT
- 刊名：Journal of Molecular Liquids
- 出版年：2016
- 出版时间：August 2016
- 年：2016
- 卷：220
- 期：Complete
- 页码：495-503
- 全文大小：1030 K
文摘
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The photophysical behavior of compounds 1 and 5 in different solvents was studied.
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The NLO properties of dicyanovinyl-thienylpyrroles 1–6 compounds were investigated.
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DFT calculations were performed to support experimental results.
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The HOMO → LUMO transition plays an important role in UV–vis spectra.
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Dicyanovinyl-thienylpyrroles can be used as excellent NLO materials.