Understanding the spectroscopic properties of the photosynthetic reaction center of Rhodobacter sphaeroides by a combined theoretical study of absorption and circular dichroism spectra

J Phys Chem B. 2009 Jul 30;113(30):10055-8. doi: 10.1021/jp903386z.

Abstract

In the present study, we calculate eight low-lying (1.3-1.7 eV energy region) electronic excited states in well accordance with the absorption and CD spectroscopic properties of PSRC from Rb. shpaeroides by using time-dependent density functional theory (TDDFT). Our present calculations demonstrate that, only when the interactions among the prosthetic groups have been taken into account, a set of satisfactory assignments for both absorption and CD spectra of PSRC from Rb. sphaeroides can be achieved simultaneously.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Absorption
  • Circular Dichroism
  • Electrons
  • Models, Molecular
  • Photosynthetic Reaction Center Complex Proteins / chemistry*
  • Photosynthetic Reaction Center Complex Proteins / metabolism*
  • Protein Conformation
  • Quantum Theory
  • Rhodobacter sphaeroides / enzymology*
  • Time Factors

Substances

  • Photosynthetic Reaction Center Complex Proteins