Theoretical Study Demonstrating that Silylene Bridging Brings about LUMO Energy Lowering without Increasing the Reorganization Energy for Single Electron Transfer
Theoretical Study Demonstrating that Silylene Bridging Brings about LUMO Energy Lowering without Increasing the Reorganization Energy for Single Electron Transfer
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DOI：
10.1246/cl.140023
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发表时间：
2014-02
影响因子：
1.6
通讯作者：
Eisuke Ohta;Takuya Ogaki;T. Aoki;H. Ikeda
中科院分区：
文献类型：
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作者：
Eisuke Ohta;Takuya Ogaki;T. Aoki;H. Ikeda
用密度泛函理论方法对亚甲基桥联的环三硫和四硫烯1b和2b进行了计算。结果表明，与各自的桥式相比，桥式具有更好的性能。
Density functional theory calculations were performed on silylene-bridged cyclic tri- and tetrathienylene 1b and 2b. The results show that in comparison to their respective unbridged counterparts 1...