Creation of (σ+π)-Mixed Delocalization

Creation of (σ+π)-Mixed Delocalization

We design and synthesize compounds bearing a new electronic delocalization system named (σ+π)-mixed delocalization, where a σ-delocalization unit on the periphery of a benzene ring can conjugate with a π-unit of another benzene ring oriented perpendicularly to the former benzene ring. The (σ+π)-mixe...

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Veröffentlicht in:Chemistry letters 2023-09, Vol.52 (9), p.760-763
Hauptverfasser: Saito, Masaichi, Suzuki, Takumi, Takahashi, Koki, Seko, Saya, Furukawa, Shunsuke, Fujii, Shintaro
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Benzene
Energy levels
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container_end_page 763
container_issue 9
container_start_page 760
container_title Chemistry letters
container_volume 52
creator Saito, Masaichi
Suzuki, Takumi
Takahashi, Koki
Seko, Saya
Furukawa, Shunsuke
Fujii, Shintaro
description We design and synthesize compounds bearing a new electronic delocalization system named (σ+π)-mixed delocalization, where a σ-delocalization unit on the periphery of a benzene ring can conjugate with a π-unit of another benzene ring oriented perpendicularly to the former benzene ring. The (σ+π)-mixed delocalization is evidenced by the HOMO structures, the increase in HOMO energy levels and a larger single-molecule conductance, compared to those of reference compounds with no (σ+π)-mixed delocalization.
doi_str_mv 10.1246/cl.230279
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source Oxford University Press Journals All Titles (1996-Current)
subjects Benzene
Energy levels
title Creation of (σ+π)-Mixed Delocalization
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