Synthesis and charge delocalization property of multimetallic molecular wires with diethynylthiophene bridges
Synthesis and charge delocalization property of multimetallic molecular wires with diethynylthiophene bridges
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DOI：
10.1016/j.jorganchem.2017.02.033
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发表时间：
2017-10-01
影响因子：
2.3
通讯作者：
Akita, Munetaka
中科院分区：
文献类型：
--
作者：
Sugimoto, Kaho;Idei, Hidekazu;Akita, Munetaka
在这里，我们报告了富含噻吩、乙炔型单核、双核和三核钌分子线1-4的性质，这些分子线是通过合理设计的亚乙烯基中间体偶联制备的。1-3的电化学分析揭示了完全可逆的氧化还原波，其数量等于钌碎片的数量。光谱电化学分析2和3揭示了明确的逐步氧化过程。近红外光谱分析表明，单阳离子2+和3+是高度离域的离子，这一结果得到了理论计算的支持。(C)2017爱思唯尔B. V.保留所有权利。
Here we report properties of thiophene-rich, acetylide-type mono-, di- and tri-nuclear ruthenium molecular wires 1-4, which are prepared by rationally designed coupling of vinylidene intermediates. Electrochemical analysis of 1-3 reveals fully reversible redox waves, the numbers of which are equal to those of the ruthenium fragments. Spectroelectrochemical analysis of 2 and 3 reveals the clear step-bystep oxidation processes. Analysis of NIR absorption bands reveals that the monocationic species 2+ and 3+ are highly charge-delocalized species, which are further supported by DFT and TD-DFT calculations of their model complexes. (C) 2017 Elsevier B.V. All rights reserved.