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A theoretical study of electronic excited states of photosynthetic reaction center in Rhodopseudomonas viridis

查看全文 作　　者：REN Yanliang CHENG Lin WAN Jian LI Yongjian LIU Junjun YANG Guangfu ZHANG Lihua YANG [1]Song 高影响力作者 机构地区：[1]Key Laboratory of Pesticide & Chemical Biology CCNU, Ministry of Education and Department of Chemistry, Central China Normal University, Wuhan 430079, China Key Laboratory of Pesticide & Chemical Biology CCNU, Ministry of Education and Department of Chemistry, Central China Normal University, Wuhan 430079, China Key Laboratory of Pesticide & Chemical Biology CCNU, Ministry of Education and Department of Chemistry, Central China Normal University, Wuhan 430079, China Key Laboratory of Pesticide & Chemical Biology CCNU, Ministry of Education and Department of Chemistry, Central China Normal University, Wuhan 430079, China Key Laboratory of Pesticide & Chemical Biology CCNU, Ministry of Education and Department of Chemistry, Central China Normal University, Wuhan 430079, China Key Laboratory of Pesticide & Chemical Biology CCNU, Ministry of Education and Department of Chemistry, Central China Normal University, Wuhan 430079, China Key Laboratory of Pesticide & Chemical Biology CCNU, Ministry of Education and Department of Chemistry, Central China Normal University, Wuhan 430079, China Key Laboratory of Pesticide & Chemical Biology CCNU, Ministry of Education and Department of Chemistry, Central China Normal University, Wuhan 430079, China高影响力机构 出　　处：《Science China Chemistry》索引2006年第49卷第1期,共9页高影响力期刊 基　　金：This work was supported by the National Natural Science Foundation of China(Grant Nos.20203009 and 20432010);Hubei Province Science Foundations(Nos.2004ABC002 and 2005ABB012(a Grant for Young Distinguished Scholar));a Grant from the Ministry of Science and Technology of China(No.2004CCA00100);the China Scholarship Council. 摘　　要：The electronic singlet vertical excited states of photosynthetic reaction center (PSRC) in Rhodopseudomonas (Rps.) viridis were investigated by ZINDO and INDO/S methods. The effects of the interactions of pigment-pigment and pigment-protein on the electronic excitations were examined. The calculation results showed that the interactions of pigment-pigment and pigment-protein play an important role in reasonably assigning the experimental absorption and circular dichroism (CD) spec-tra of PSRC in Rps. virids. By comparing the theoretically computed excited states with the experi-mental absorption and CD spectra, satisfactory assignments of the experimental spectroscopic peaks were achieved. 关 键 词：RHODOPSEUDOMONAS viridis, ZINDO, INDO/S, circular DICHROISM spectrum.
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