ICCAS OpenIR
Theoretical studies on mechanism of primary electronic transfer in the photosynthetic reaction center of Rhodopseuodomonas Virid
Zhang, XD; Ma, SH; Wang, YN; Zhang, XK; Zhang, QY
2000-02-29
Source PublicationJOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY
ISSN1010-6030
Volume131Issue:1-3Pages:85-94
AbstractThe electronic structure of the primary electron donor, P960, in photosynthetic reaction center (RC) of Rhodopseudomonas (Rps.) Virid has been studied with the ab initio method at the minimal basis set and the restricted Hartree-Fock (RHF) level by using the Gaussian 98 program. The effect of the surrounding proteins and the histidine residue axial ligands on the electronic structure of super-molecule P960 has also been studied. The results indicated: (1) For super-molecule P960, the LUMOs mainly consist of atomic orbitals (AOs) of atoms in BChl b(L), its corresponding HOMOs mainly come from the contributions of AOs of atoms in BChl b(M). The surrounding proteins and histidine residue axial ligands do not change the compositions of its HOMO and LUMO significantly. These results are helpful to understand the fact that the primary ET process in RC of Rps. Virid only takes place along the L branch; and (2) According to the relative positions of E-LUMOS Of the primary electron donor P960, P960-h and pigment molecules ABChl, ABChl-h and BPheo located in the L and M subunits in the RC of Rps. Virid, respectively, it can also be seen that the primary ET process should take place along the L branch and it should be a one-step process from P960-h to BPheo bL. The coordination of histidine residue axial ligands at P960 and ABChl b molecules play a very important role in the primary ET process of the RC of Rps. Virid. (C) 2000 Elsevier Science S.A. All rights reserved.
KeywordP960-rps. Virid Electronic Structure Electron Transfer Ab Initio
Indexed BySCI
Language英语
WOS IDWOS:000085474300013
PublisherELSEVIER SCIENCE SA
Citation statistics
Cited Times:9[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/75874
Collection中国科学院化学研究所
Corresponding AuthorZhang, QY
AffiliationChinese Acad Sci, Inst Chem, State Key Lab Struct Chem Unstable & Stable Speci, Beijing 100080, Peoples R China
Recommended Citation
GB/T 7714
Zhang, XD,Ma, SH,Wang, YN,et al. Theoretical studies on mechanism of primary electronic transfer in the photosynthetic reaction center of Rhodopseuodomonas Virid[J]. JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY,2000,131(1-3):85-94.
APA Zhang, XD,Ma, SH,Wang, YN,Zhang, XK,&Zhang, QY.(2000).Theoretical studies on mechanism of primary electronic transfer in the photosynthetic reaction center of Rhodopseuodomonas Virid.JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY,131(1-3),85-94.
MLA Zhang, XD,et al."Theoretical studies on mechanism of primary electronic transfer in the photosynthetic reaction center of Rhodopseuodomonas Virid".JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY 131.1-3(2000):85-94.
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