...
  • 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>Journal of Molecular Liquids >Photoinduced electron transfer in non-covalent free-base octaethylporphyrin and 2-nitrofluorene donor-acceptor system: A combined experimental and quantum chemical study
【24h】

Photoinduced electron transfer in non-covalent free-base octaethylporphyrin and 2-nitrofluorene donor-acceptor system: A combined experimental and quantum chemical study

机译：非共价自由基八丁基卟啉和2-硝基氟烯供体 - 受体系统的光突出电子转移：一种实验和量子化学研究

获取原文
获取原文并翻译 | 示例
           
页面导航
  • 摘要
  • 著录项
  • 相似文献
  • 相关主题

摘要

Photosynthetic reaction center functions through non-covalent incorporation into a well-defined transmembrane proteins. In the context of exploring photoinduced electron transfer (PET) in non-covalent donor acceptor systems, we have investigated electron transfer from free-base octaethylporphyrin (OEP) donor to 2-nitrofluorene (2NF) acceptor in acetonitrile (ACN), a polar solvent. Steady-state and time-resolved emission spectroscopic studies in conjunction with density functional theory (DFT) calculations were employed to explore the electron transfer process. Quenching of the fluorescence emission intensity as well as fluorescence lifetime of the OEP upon excitation at the Q band of OEP at 300 K, is attributed to the PET from OEP to 2NF. Our DFT [wB97XD functional and 6-31G (d,p) basis set] calculations also support the interaction between donor and acceptor and also reveals the co-facial pi-pi interaction energy of -24.6 kcal/mol with intermolecular distance <4 angstrom. Our results are expected to shed light on PET in non-covalent donor acceptor systems. (C) 2019 Elsevier B.V. All rights reserved.
机译：光合反应中心通过非共价掺入到明确的跨膜蛋白中。在探索非共价供体体系中的光诱导电子转移（PET）的背景下，我们已经研究了从自由基八苯基脲（OEP）供体中的电子转移到乙腈（ACN）中的2-硝基氟烯（2NF）受体，是极性溶剂。采用与密度泛函理论（DFT）计算结合密度函数理论（DFT）计算的稳态和时分分辨的发射光谱研究来探讨电子转移过程。荧光发射强度以及OEP在300k的Q条带的激发时熄灭荧光寿命，归因于来自OEP至2NF的PET。我们的DFT [WB97XD功能和6-31G（D，P）基础设定]计算还支持供体和受体之间的相互作用，并且还揭示了分子间距离<4埃的24.6kcal / mol的共面PI-PI相互作用能量<4埃。我们的结果预计将在非共价供体受体系统中阐明宠物。 （c）2019 Elsevier B.v.保留所有权利。

著录项

相似文献

  • 外文文献
  • 专利
获取原文

客服邮箱：kefu@zhangqiaokeyan.com

京公网安备：11010802029741号 ICP备案号：京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有

  • 客服微信

  • 服务号