Issue 53, 2017

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

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

Supplementary files

Article information

Article type
Communication
Submitted
25 Mär 2017
Accepted
31 Mai 2017
First published
01 Jun 2017

Chem. Commun., 2017,53, 7365-7368

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, 53, 7365 DOI: 10.1039/C7CC02275A

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