Title Spectroscopy of photosynthetic molecular complexes. Theoretical modeling and analysis /
Translation of Title Fotosintetinių molekulinių kompleksų spektroskopija. Teorinis modeliavimas ir analizė.
Authors Gelžinis, Andrius
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Pages 131
Keywords [eng] spectroscopy ; modeling ; photosynthetic complexes
Abstract [eng] This dissertation is dedicated to the spectroscopy of photosynthetic molecular complexes. The main emphasis is paid to the analysis and theoretical modeling of the experimental data. Three main things were accomplished in this thesis. First, a pedagogical introduction to the two-dimensional (2D) optical spectroscopy was made, followed with a report on the analysis of the 2D spectroscopy data of the fucoxanthin-chlorophyll protein complex, a major light-harvesting antenna from diatoms. A possible structural scheme and a detailed scheme of energy transfer pathways were proposed. Second, a tight-binding Hamiltonian was presented and the complex time-dependent Redfield (ctR) theory was developed to describe the linear absorption, linear and circular dichroism, Stark and 2D optical spectra of molecular photosynthetic complexes. It was demonstrated that the ctR theory gives results very close to exact lineshapes. Third, the ctR theory then was applied to construct a microscopic model of the photosystem II reaction center. The primary charge transfer state was identified from the simulations of the Stark spectrum.
Dissertation Institution Vilniaus universitetas.
Type Doctoral thesis
Language English
Publication date 2017