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Li H, Wu C, Malinin SV, et al. Exciton scattering on symmetric branching centers in conjugated molecules. J Phys Chem B. 2010;115(18):5465-75doi: 10.1021/jp110317d.
Li, H., Wu, C., Malinin, S. V., Tretiak, S., & Chernyak, V. Y. (2011). Exciton scattering on symmetric branching centers in conjugated molecules. The journal of physical chemistry. B, 115(18), 5465-75. https://doi.org/10.1021/jp110317d
Li, Hao, et al. "Exciton scattering on symmetric branching centers in conjugated molecules." The journal of physical chemistry. B vol. 115,18 (2011): 5465-75. doi: https://doi.org/10.1021/jp110317d
Li H, Wu C, Malinin SV, Tretiak S, Chernyak VY. Exciton scattering on symmetric branching centers in conjugated molecules. J Phys Chem B. 2011 May 12;115(18):5465-75. doi: 10.1021/jp110317d. Epub 2010 Dec 31. PMID: 21194223.
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J Phys Chem B. 2011 May 12;115(18):5465-75. doi: 10.1021/jp110317d. Epub 2010 Dec 31.

Exciton scattering on symmetric branching centers in conjugated molecules.

The journal of physical chemistry. B

Hao Li, Chao Wu, Sergey V Malinin, Sergei Tretiak, Vladimir Y Chernyak

Affiliations

  1. Department of Chemistry, Wayne State University, 5101 Cass Avenue, Detroit, Michigan 48202, United States.

PMID: 21194223 DOI: 10.1021/jp110317d

Abstract

The capability of the exciton scattering approach, an efficient methodology for excited states in branched conjugated molecules, is extended to include symmetric triple and quadruple joints that connect linear segments on the basis of the phenylacetylene backbone. The obtained scattering matrices that characterize these vertices are used in application of our approach to several test structures, where we find excellent agreement with the transition energies computed by the reference quantum chemistry. We introduce topological charges, associated with the scattering matrices, which help to formulate useful relations between the number of excitations in the exciton band and the number of repeat units. The obtained features of the scattering phases are analyzed in terms of the observed excited state electronic structure.

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