Perspective: Optical spectroscopy in π-conjugated polymers
          and how it can be used to determine multiscale polymer structures

William Barford; Max Marcus

doi:10.1063/1.4979495

journal article Apr 03, 2017

Perspective: Optical spectroscopy in π-conjugated polymers and how it can be used to determine multiscale polymer structures

William Barford Max Marcus

The Journal of Chemical Physics Vol. 146 No. 13 · AIP Publishing

View at Publisher Save 10.1063/1.4979495

Abstract

Exciton delocalization in conjugated polymer systems is determined by polymer conformations and packing. Since exciton delocalization determines the photoluminescent vibronic progression, optical spectroscopy provides an indirect link to polymer multiscale structures. This perspective describes our current theoretical understanding of how exciton delocalization in π-conjugated polymers determines their optical spectroscopy and further shows how exciton delocalization is related to conformational and environmental disorder. If the multiscale structures in conjugated polymer systems are known, then using first-principles modeling of excitonic processes it is possible to predict a wide-range of spectroscopic observables. We propose a reverse-engineering protocol of using these experimental observables in combination with theoretical and computational modeling to determine the multiscale polymers structures, thus establishing quantitative structure-function predictions.

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Metrics

53

Citations

87

References

Details

Published: Apr 03, 2017
Vol/Issue: 146(13)

Authors

W

William Barford

University of Oxford 1 Department of Chemistry, Physical and Theoretical Chemistry Laboratory, , Oxford OX1 3QZ, United Kingdom

M

Max Marcus

University of Oxford 1 Department of Chemistry, Physical and Theoretical Chemistry Laboratory, , Oxford OX1 3QZ, United Kingdom; University of Oxford 2 Magdalen College, , Oxford OX1 4AU, United Kingdom

Funding

Zvi and Ofra Meitar Magdalen College Graduate Scholarship

Cite This Article

William Barford, Max Marcus (2017). Perspective: Optical spectroscopy in π-conjugated polymers and how it can be used to determine multiscale polymer structures. The Journal of Chemical Physics, 146(13). https://doi.org/10.1063/1.4979495

Perspective: Optical spectroscopy in π-conjugated polymers and how it can be used to determine multiscale polymer structures

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