期刊论文

Zhang, Qian;Ou, YP

英文

Journal of Coordination Chemistry

0095-8972

2024

77

20-21

2363-2375

10.1080/00958972.2024.2423034

The authors acknowledge financial support from the National Natural Science Foundation of China (21602049), the Natural Science Foundation of Hunan Province, China (Nos. 2021JJ30058 and 2017JJ3004), Scientific Research Projects of Education Department of Hunan Province (No. 21A0441), National Training Program of Innovation and Entrepreneurship for Undergraduates (No. 202312659001), the Aid Programs for Technology Innovative Team, Key Discipline in Education Department of Hunan Province and Functional Metal-Organic Compounds of Hunan Science and Technology Innovation Team, and the Support Plan for Talents in Hengyang Normal University.

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We have constructed isomeric triruthenium ethynyl complexes 1 and 2 linked by benzo[1,2-b:4,5-b']dithiophene. The electronic properties of 1 and 2 were compared by (spectro)electrochemical and theoretical calculations. DFT (density functional theory) fully-optimized structures 1 and 2 showed that the ruthenium terminal groups both exhibit a similar pseudo-octahedral configuration as reported for the crystal structure of 1. With step-by-step oxidation, the bond length of Ru-C decreases and the bond length of C equivalent to C increases, which indicated that the complexes undergo a transition fr...