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Molecular “topological insulators”: a case study of electron transfer in the bis(methylene) adamantyl carbocation

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Abstract

A topological or geometric phase (GP) blockade can be introduced in molecular electron transfer processes if a conical intersection (CI) occurs between two charge configurations. The origin of the blockade is in the destructive interference of two pathways around the CI that acquire opposite GPs. Electron transfer quantum dynamics including and excluding GP have been modelled for the bis(methylene) adamantyl carbocation. These calculations have shown unambiguously that the CI topology and the induced GP are responsible for the transport blockade.

Graphical abstract: Molecular “topological insulators”: a case study of electron transfer in the bis(methylene) adamantyl carbocation

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Publication details

The article was received on 25 Mar 2017, accepted on 31 May 2017 and first published on 01 Jun 2017


Article type: Communication
DOI: 10.1039/C7CC02275A
Citation: Chem. Commun., 2017, Advance Article
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    Molecular “topological insulators”: a case study of electron transfer in the bis(methylene) adamantyl carbocation

    L. Joubert-Doriol and A. F. Izmaylov, Chem. Commun., 2017, Advance Article , DOI: 10.1039/C7CC02275A

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