Long-Range Electron Transfer and Electronic Transport Through Macromolecules

TL;DR

This paper develops a theoretical framework to analyze electronic transport and intramolecular electron transfer in complex macromolecules, focusing on donor/acceptor coupling effects in molecular wires.

Contribution

It introduces analytical and numerical methods to study how donor/acceptor coupling influences electron transfer in molecules with complex subsystems.

Findings

Donor/acceptor coupling significantly affects electron transfer efficiency.

Analytical models match numerical simulations for complex molecular structures.

Insights into designing molecules with optimized electronic transport properties.

Abstract

A theory of electrical transport through molecular wires is used to estimate the electronic factor in the intramolecular electron transfer (ET) in porphyrin-nitrobenzene supermolecules, and to analyze its structure. The chosen molecules have complex donor and acceptor configurations, and relatively simple structure of the bridge, which enables us to concentrate our studies on the donor/acceptor coupling to the bridge. We present analytical and numerical results concerning the effect of donor/acceptor coupling to the bridge on the ET process in molecules with complex donor/acceptor subsystems. PACS 05.60.Gg, 36.20.-r