ELECTRON TRANSFER THROUGH NON-HYDROGEN AND HYDROGEN BONDED INTERMOLECULAR TUNNEL JUNCTIONS: A COMPUTATIONAL STUDY-Reference-Cited by-同舟云学术

ELECTRON TRANSFER THROUGH NON-HYDROGEN AND HYDROGEN BONDED INTERMOLECULAR TUNNEL JUNCTIONS: A COMPUTATIONAL STUDY

Published:2012-10 Issue:05 Volume:11 Page:997-1004
ISSN:0219-6336
Container-title:Journal of Theoretical and Computational Chemistry
language:en
Short-container-title:J. Theor. Comput. Chem.

Author:

DAS MOUSUMI¹

Affiliation:

1. Department of Chemical Sciences, Indian Institute of Science Education and Research, Kolkata, Mohanpur Campus, Mohanpur - 741252, Nadia, West Bengal, India

Abstract

The nature of electron transfer through intermolecular tunnel junctions has been studied. Intermolecular junctions feature non-hydrogen and hydrogen bonded interactions and are defined by the end groups of pairs of functionalized conjugated alkenes. We compared the distant dependent electron transfer from donor to acceptor group attached to the other sides of those functionalized conjugated alkenes. Study shows electron transfer coupling matrix element for these intermolecular junctions decays exponentially as a function of junction separation and quite substantial in energetically favourable hydrogen bonded intermolecular junctions.

Publisher

World Scientific Pub Co Pte Lt

Subject

Computational Theory and Mathematics,Physical and Theoretical Chemistry,Computer Science Applications

Link

https://www.worldscientific.com/doi/pdf/10.1142/S0219633612500666

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