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Controlling Quantum Interference Patterns in Redox-Active Rings

Journal of Organometallic Chemistry(2024)

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摘要
The ability to create molecules, which exhibit tunable and unique conductive properties is a key requirement for the development of future generation devices. Towards this concept, we herein report synthetic routes to novel linear, branched, and cyclic Ru(1,2-bis(diphenylphosphino)ethane)2-containing molecules, including the variation of surface binding groups. Synthetic strategies are discussed followed by a discussion of the electrochemical properties of the molecules. Theoretical calculations suggest that cyclic derivatives exhibit higher conductance compared to their linear counterparts due to quantum interference effects. Additionally, the conductance of both linear and cyclic molecules can vary depending on their orientation.
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关键词
metal-alkynes,quantum interference,redox-active compounds,quantum chemical modelling
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