The investigation of excited state proton transfer mechanism in water-bridged 7-azaindole
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- 作者：Yong-Jia Zhanga ; Jin-Feng Zhaoa ; b ; Yong-Qing Lia ; b ; yqli@lnu.edu.cn" class="auth_mail" title="E-mail the corresponding author
- 关键词：Excited-state intermolecular proton transfer ; Electronic spectra ; Frontier molecular orbitals ; Potential energy curves
- 刊名：Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
- 出版年：2016
- 出版时间：15 January 2016
- 年：2016
- 卷：153
- 期：Complete
- 页码：147-151
- 全文大小：580 K
文摘
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70">The ESIPT of water-bridged 7-azaindole is investigated by TDDFT method.
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75">The hydrogen bonding strengthening in the excited state.
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The ESIPT mechanism is clarified.