ICCAS OpenIR
The theoretical studies on the mechanism of the primary electron transfer in the mutant photosynthetic reaction center
Zhang, XD; Ma, SH; Xu, H; Shen, LL; Zhang, XK; Zhang, QY
2000
Source PublicationACTA CHIMICA SINICA
ISSN0567-7351
Volume58Issue:12Pages:1576-1581
AbstractThe electronic structure of the primary electron donor D - 2A and other pigments in photosynthetic reaction center (RC) of the mutant HM202L of Rhodobacter sphaeroides has been studied with the ab initio DFT method. The mechanism of primary electron transfer in this mutant was studied. The results indicated 1) HOMO of super- molecule D - 2A mainly consists of the atomic orbitals of atoms located at the composition unit BChl(L), and its LUMO mainly consists of atomic orbitals of atoms located at the composition unit MBPheo(M). These rsults indicate that there exist internal charge separated states [BChl(L)(-) - MBPheo(M)(+)] and [BChl(L)(+) - MBPheo(M)(-)] in the ground state and excited state of super- molecule D - 2A, respectively. The positive charge of the D - 2A cation completely localizes on the composition unit BChl(L), which is in agreement with the experimental fact. 2) There might be a reaction channel, in which the primary electron transfer reaction may be driven by ABChla(L)(h)* in the HM202L photosynthetic reaction center.
KeywordPhotosynthetic Reaction Center Electron Transfer Electronic Structure Ab Initio
Indexed BySCI
Language英语
WOS IDWOS:000166093500016
PublisherSCIENCE PRESS
Citation statistics
Cited Times:1[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/76028
Collection中国科学院化学研究所
Corresponding AuthorZhang, XD
AffiliationChinese Acad Sci, Inst Chem, Ctr Mol Sci, State Key Lab Struct Chem Unstable & Stable Speci, Beijing 100080, Peoples R China
Recommended Citation
GB/T 7714
Zhang, XD,Ma, SH,Xu, H,et al. The theoretical studies on the mechanism of the primary electron transfer in the mutant photosynthetic reaction center[J]. ACTA CHIMICA SINICA,2000,58(12):1576-1581.
APA Zhang, XD,Ma, SH,Xu, H,Shen, LL,Zhang, XK,&Zhang, QY.(2000).The theoretical studies on the mechanism of the primary electron transfer in the mutant photosynthetic reaction center.ACTA CHIMICA SINICA,58(12),1576-1581.
MLA Zhang, XD,et al."The theoretical studies on the mechanism of the primary electron transfer in the mutant photosynthetic reaction center".ACTA CHIMICA SINICA 58.12(2000):1576-1581.
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