Kyrychenko O. Dynamics of physico-chemical processes in electronically excited molecules, nano-dimentional and biological systems: fluorescence spectroscopy and computer modeling

The thesis has been focused on solving a topical scientific problem - studying of electronic structure, interfragmental interactions and intramolecular electronic processes in azaaromatic multichromophoric compounds, containing pyrrole, indole, pyridine, quinoline, porphyrin and its metal complexes, which open up the opportunity to carry out the integrated analysis of photophysical and photochemical processes of solvent-mediated proton transfer, as well as, long-range bridge-mediated singlet-singlet and triplet-triplet excitation energy transfer in a series of porphyrin dyads. High-resolution electronic and vibrational spectra of porphyrin, porphycene, and its derivatives, isolated in low-temperature argon and xenon matrix, have been examined experimentally and analyzed theoretically in terms of an ensemble of discrete trapping sites. By using molecular-dynamics simulations, the structure of hybrid organo-inorganic materials based on gold and silver nanoparticles and their conjugates with organic ligands, polymers, and peptides has been predicted. The improved procedure for computer simulations of localization of fluorescence probes, fluorescent lipids, and paramagnetic spin-labeled lipid quenchers in lipid membranes has been developed.