Tuning the push-pull configuration for efficient second-order nonlinear optical properties in some chalcone derivatives
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- 作者：Shabbir Muhammada ; c ; mshabbir@kku.edu.sa" class="auth_mail" title="E-mail the corresponding author ; Abdullah G. Al-Sehemib ; c ; Ahmad Irfanb ; c ; Aijaz R. Chaudhrya ; c
- 关键词：Nonlinear optical ; Density functional theory ; Chalcones ; Push&ndash ; pull configuration
- 刊名：Journal of Molecular Graphics and Modelling
- 出版年：2016
- 出版时间：July 2016
- 年：2016
- 卷：68
- 期：Complete
- 页码：95-105
- 全文大小：2049 K
文摘
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The potential of several push–pull chalcones as efficient NLO-phores is assessed.
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NLO properties are calculated for different chalcone derivatives using DFT methods.
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Chalcones with trimethoxypyren and nitro groups are found as efficient NLO-phores.
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The structure-NLO property relationship has been extended to several experimental chalcones.