DataVXThe Journal of Physical Chemistry LettersPaper
journal article·2022-10-06

Probing Through-Bond and Through-Space Interactions in Singlet Fission-Based Pentacene Dimers

Ashish Sharma, Stavros Athanasopoulos, Yun Li, Samuel N. Sanders, Elango Kumarasamy, Luis M. Campos, Girish Lakhwani

The Journal of Physical Chemistry Letters· Volume 13· Issue 39
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Source abstract

Abstract

Interchromophoric interactions such as Coulombic coupling and exchange interactions are crucial to the functional properties of numerous π-conjugated systems. Here, we use magnetic circular dichroism (MCD) spectroscopy to investigate interchromophoric interactions in singlet fission relevant pentacene dimers. Using a simple analytical model, we outline a general relationship between the geometry of pentacene dimers and their calculated MCD response. We analyze experimental MCD spectra of different covalently bridged pentacene dimers to reveal how the molecular structure of the "bridge" affects the magnitude of through-space Coulombic and through-bond exchange interactions in the system. Our results show that through-bond interactions are significant in dimers with conjugated molecules as bridging units and these interactions promote the overall electronic coupling in the system. Our generalized approach paves the way for the application of MCD in investigating interchromophoric interactions across a range of π-conjugated systems.
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OpenAlex topics: Intellectual Capital and Performance Analysis · Regional Development and Policy

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Affiliations

ARC Centre of Excellence in Exciton Science, School of Chemistry, The University of Sydney, Sydney, New South Wales 2006, Australia

Cavendish Laboratory, University of Cambridge, J. J. Thomson Avenue, Cambridge CB3 0HE, United Kingdom

Departamento de Física, Universidad Carlos III de Madrid, Avenida Universidad 30, Leganés, 28911 Madrid, Spain

Department of Chemistry, Columbia University, New York, New York 10027, United States

The University of Sydney Nano Institute, Sydney, New South Wales 2006, Australia

Funding

FP7 People: Marie-Curie Actions · Comunidad de Madrid · Ministerio de Ciencia, Innovaci?n y Universidades · Universidad Carlos III de Madrid · Ministerio de Econom?a y Competitividad · Australian Research Council · Ministerio de Educaci?n, Cultura y Deporte · Banco Santander · Division of Materials Research

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