Low-lying excited states of light-harvesting system II in purple bacteria

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Low-lying excited states of light-harvesting system II in purple bacteria

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dc.contributor.author Ng, Man-Fai
dc.contributor.author Zhao, Yang
dc.contributor.author Chen, Guan Hua
dc.date.accessioned 2011-12-13T06:08:32Z
dc.date.available 2011-12-13T06:08:32Z
dc.date.copyright 2003
dc.date.issued 2011-12-13
dc.identifier.citation Ng, M. F., Zhao, Y., & Chen, G. H. (2003). Low Energy Excited States of Light-Harvesting System 2 in Purple Bacteria. Journal of Physical Chemistry B, 107 (35), 9589–9600.
dc.identifier.uri http://hdl.handle.net/10220/7394
dc.description.abstract The light-harvesting system II (LH2) from Rhodospirillum (Rs.) molischianum is a two-ring circular aggregate composed of eight weakly coupled bacteriochlorophylls-a (BChls-a) in the B800 ring and sixteen strongly coupled BChls-a in the B850 ring. The linear-scaling localized-density-matrix (LDM) method has been implemented at the INDO/S level to probe the electronic structures of monomers, dimers, trimers, pentamers, and entire rings of BChls. The low-lying excited states of a B850 ring are found to fit extremely well with a Frenkel exciton model with long-range dipolar interactions. More importantly, the nearest neighboring BChls-a exciton coupling constants on a B850 ring are found to be close to those evaluated directly from dimers, and thus, an existing discrepancy between calculated results of dimers and B850 rings has been resolved. In addition, solvent effects are simulated and the results are compared to the experimental findings.
dc.language.iso en
dc.relation.ispartofseries Journal of physical chemistry B
dc.rights © 2003 American Chemical Society
dc.subject DRNTU::Engineering::Materials::Photonics and optoelectronics materials
dc.title Low-lying excited states of light-harvesting system II in purple bacteria
dc.type Journal Article
dc.contributor.school School of Materials Science and Engineering
dc.identifier.doi http://dx.doi.org/10.1021/jp034320r

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