Low-lying excited states of light-harvesting system II in purple bacteria
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) met...
| Main Authors: | , , |
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| Other Authors: | |
| Format: | Journal Article |
| Language: | English |
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2011
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| Online Access: | https://hdl.handle.net/10356/93849 http://hdl.handle.net/10220/7394 |
| _version_ | 1811679697040310272 |
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| author | Ng, Man-Fai Zhao, Yang Chen, Guan Hua |
| author2 | School of Materials Science & Engineering |
| author_facet | School of Materials Science & Engineering Ng, Man-Fai Zhao, Yang Chen, Guan Hua |
| author_sort | Ng, Man-Fai |
| collection | NTU |
| description | 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. |
| first_indexed | 2024-10-01T03:13:16Z |
| format | Journal Article |
| id | ntu-10356/93849 |
| institution | Nanyang Technological University |
| language | English |
| last_indexed | 2024-10-01T03:13:16Z |
| publishDate | 2011 |
| record_format | dspace |
| spelling | ntu-10356/938492020-06-01T10:13:52Z 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::Engineering::Materials::Photonics and optoelectronics materials 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. 2011-12-13T06:08:32Z 2019-12-06T18:46:35Z 2011-12-13T06:08:32Z 2019-12-06T18:46:35Z 2003 2003 Journal Article 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. https://hdl.handle.net/10356/93849 http://hdl.handle.net/10220/7394 10.1021/jp034320r en Journal of physical chemistry B © 2003 American Chemical Society |
| spellingShingle | DRNTU::Engineering::Materials::Photonics and optoelectronics materials Ng, Man-Fai Zhao, Yang Chen, Guan Hua Low-lying excited states of light-harvesting system II in purple bacteria |
| title | 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_short | 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 |
| topic | DRNTU::Engineering::Materials::Photonics and optoelectronics materials |
| url | https://hdl.handle.net/10356/93849 http://hdl.handle.net/10220/7394 |
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