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

The low-lying excited states of a B850 ring of Rhodospirillum (Rs.) molischianum are determined accurately by a semiempirical INDO/S method. Results obtained are found to fit extremely well with a Frenkel exciton model with long-range dipolar interactions, and the spatial size of the electron-hole p...

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Main Authors:	Ng, Man-Fai, Zhao, Yang, Chen, Guan Hua
Other Authors:	School of Materials Science & Engineering
Format:	Article
Language:	English
Published:	2011
Subjects:	DRNTU::Science::Chemistry::Biochemistry
Online Access:	https://hdl.handle.net/10356/91858 http://hdl.handle.net/10220/6727
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Institution:	Nanyang Technological University
Language:	English

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spelling	sg-ntu-dr.10356-918582023-07-14T15:51:11Z Low-lying excited states of light-harvesting system II in purple bacteria Ng, Man-Fai Zhao, Yang Chen, Guan Hua School of Materials Science & Engineering DRNTU::Science::Chemistry::Biochemistry The low-lying excited states of a B850 ring of Rhodospirillum (Rs.) molischianum are determined accurately by a semiempirical INDO/S method. Results obtained are found to fit extremely well with a Frenkel exciton model with long-range dipolar interactions, and the spatial size of the electron-hole pair is confirmed to fall predominantly within one bacteriochlorophyll with a small leakage to its nearest neighbors. More importantly, the nearest neighbor exciton coupling constants 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. Published version 2011-03-03T03:19:46Z 2019-12-06T18:13:08Z 2011-03-03T03:19:46Z 2019-12-06T18:13:08Z 2004 2004 Journal Article Zhao, Y., Ng, M. F., & Chen, G. H. (2004). Low-lying excited states of light-harvesting system II in purple bacteria. Physical review E, 69, 1-4. https://hdl.handle.net/10356/91858 http://hdl.handle.net/10220/6727 10.1103/PhysRevE.69. en Physical review E © 2004 American Physical Society. This paper was published in Physical Review E and is made available as an electronic reprint (preprint) with permission of American Physical Society. The paper can be found at: [Doi: http://dx.doi.org/10.1103/PhysRevE.69.032902]. One print or electronic copy may be made for personal use only. Systematic or multiple reproduction, distribution to multiple locations via electronic or other means, duplication of any material in this paper for a fee or for commercial purposes, or modification of the content of the paper is prohibited and is subject to penalties under law. 4 p. application/pdf
institution	Nanyang Technological University
building	NTU Library
continent	Asia
country	Singapore Singapore
content_provider	NTU Library
collection	DR-NTU
language	English
topic	DRNTU::Science::Chemistry::Biochemistry
spellingShingle	DRNTU::Science::Chemistry::Biochemistry Ng, Man-Fai Zhao, Yang Chen, Guan Hua Low-lying excited states of light-harvesting system II in purple bacteria
description	The low-lying excited states of a B850 ring of Rhodospirillum (Rs.) molischianum are determined accurately by a semiempirical INDO/S method. Results obtained are found to fit extremely well with a Frenkel exciton model with long-range dipolar interactions, and the spatial size of the electron-hole pair is confirmed to fall predominantly within one bacteriochlorophyll with a small leakage to its nearest neighbors. More importantly, the nearest neighbor exciton coupling constants 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.
author2	School of Materials Science & Engineering
author_facet	School of Materials Science & Engineering Ng, Man-Fai Zhao, Yang Chen, Guan Hua
format	Article
author	Ng, Man-Fai Zhao, Yang Chen, Guan Hua
author_sort	Ng, Man-Fai
title	Low-lying excited states of light-harvesting system II in purple bacteria
title_short	Low-lying excited states of light-harvesting system II in purple bacteria
title_full	Low-lying excited states of light-harvesting system II in purple bacteria
title_fullStr	Low-lying excited states of light-harvesting system II in purple bacteria
title_full_unstemmed	Low-lying excited states of light-harvesting system II in purple bacteria
title_sort	low-lying excited states of light-harvesting system ii in purple bacteria
publishDate	2011
url	https://hdl.handle.net/10356/91858 http://hdl.handle.net/10220/6727
_version_	1772825468945301504

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

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