| C60二取代化合物与环状二卟啉相互作用研究 |
| Study on the Interaction Between C60 Bisadducts and Cyclic Porphyrin Dimer |
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| 摘要: 通过紫外-可见吸收光谱研究了环状二卟啉与trans-2，trans-3，trans-4和e型4种吡咯烷二取代C60衍生物（bis-C60）异构体之间的弱相互作用。研究表明，吡咯烷取代基团的引入使富勒烯与二卟啉的结合常数按C60 >单取代C60 >二取代C60的顺序降低。4种bis-C60与二卟啉的结合常数变化顺序为trans-2 >trans-3≈trans-4>e，表明2个取代基间的相对位置对二取代C60与环状二卟啉间作用有一定影响，分析认为主、客体分子间空间位阻效应的差异是导致这一变化的主要原因。以trans-3bis-C60/二卟啉复合物为代表，通过密度泛函理论模拟了其几何结构和吸收光谱。 |
| 关键词: 环状卟啉二聚体 吡咯烷C60二取代物 电子吸收光谱 空间位阻 |
| 基金项目: |
| Abstract: The interaction between cyclic porphyrin dimmer and four kinds of pyrrolidine di-functionalized C60 (bis-C60) isomers, namely trans-2, trans-3, trans-4, and e, has been studied by UV-Visible absorption spectroscopy. The introduction of pyrrolidine ring weakens the interaction between porphyrin dimer and fullerene in the order of C60 >mono-functionalized C60 >di-functionalized C60. Four kinds of bisadduct isomers were compared with each other in their interaction with porphyrin dimer, with an order of trans-2> trans-3≈trans-4> e isomer, which is attributed to different steric hindrance caused by different substitution pattern. The density functional theory calculation on the interaction geometry and absorption spectra were performed for the trans-3 bis-C60/cyclic porphyrin dimer complex. |
| Keywords: cyclic porphyrin dimer, di-functionalized C60, UV-Vis absorption spectra, steric hindrance |
| 投稿时间：2013-10-18 修订日期：2013-12-24 |
| 摘要点击次数: 1624 |
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| 翁俊迎,赵威,章应辉.C60二取代化合物与环状二卟啉相互作用研究[J].无机化学学报,2014,30(5):1079-1086. |
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