The role of the electronic structure of quinones in the charge stabilization in photosynthetic reaction centers

László Rinyu, László Nagy, T. Körtvélyesi

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

A specially organized quinone acceptor complex formed by the primary and secondary quinones, QA and QB, respectively, plays an essential role in charge stabilization within the photosynthetic reaction centers, pRC. Semiempirical quantum chemical calculations (AM1 implemented in MOPAC93) for the role of the head group substituents in the redox functions of the quinones were carried out and demonstrated in this work. The ionization potential and the atomic charges determined by Mulliken population analysis of ubiquinone species substituted with different isoprene subunits, UQn=0-3 (2,3-methoxy-5-methyl-6-n-isoprenoyl-1,4-ubiquinone) and DQ (2,3,5,6-tetramethyl-1,4-ubiquinone) are presented here. It is concluded that the stabilization of light separated charges is determined either by steric and/or electronic properties of quinone species bound to the pRC protein. The methoxy and isoprene chain groups of ubiquinone species play important roles in the steric and electronic stabilization of the molecules and in the mechanism of the electron transport.

Original languageEnglish
Pages (from-to)163-170
Number of pages8
JournalJournal of Molecular Structure: THEOCHEM
Volume571
DOIs
Publication statusPublished - Aug 27 2001

Fingerprint

Photosynthetic Reaction Center Complex Proteins
Quinones
Ubiquinone
quinones
Electronic structure
Stabilization
stabilization
electronic structure
Isoprene
Electron Transport
Oxidation-Reduction
Ionization potential
electronics
ionization potentials
Electronic properties
Light
proteins
Proteins
Population
Molecules

Keywords

  • Electron transport
  • Molecular modeling
  • Photosynthesis
  • Quinones
  • Reaction centers

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Computational Theory and Mathematics
  • Atomic and Molecular Physics, and Optics

Cite this

The role of the electronic structure of quinones in the charge stabilization in photosynthetic reaction centers. / Rinyu, László; Nagy, László; Körtvélyesi, T.

In: Journal of Molecular Structure: THEOCHEM, Vol. 571, 27.08.2001, p. 163-170.

Research output: Contribution to journalArticle

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