TD-DFT study on electron transfer mobility and intramolecular hydrogen bond of substituted indigo derivatives
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- 作者：Chi Ma ; Hui Li ; Yonggang Yang ; Donglin Li ; Yufang Liu ; yf-liu@htu.cn" class="auth_mail" title="E-mail the corresponding author
- 刊名：Chemical Physics Letters
- 出版年：2015
- 出版时间：1 October 2015
- 年：2015
- 卷：638
- 期：Complete
- 页码：72-77
- 全文大小：1475 K
文摘
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The intramolecular hydrogen bond is the main force to maintain the planarity of the molecule.
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The hydrogen bond I weakens and II strengthens at the same time in the same molecule upon photo-excitation.
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The substitution place significantly influences the absorption and emission process.
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The halogen substitution increases the electron transfer mobility of indigo.