8–12 Jul 2025
Politechnica Univ
Europe/Bucharest timezone

Resonant and non-resonant transfers of Frenkel excitons in Helical DNA-like regular structures

10 Jul 2025, 15:25
25m
Politechnica Univ

Politechnica Univ

Splaiul Independenței 313, București 060042
Oral Presentations S03 – Condensed matter, Materials and Applied Physics Condensed Matter, Materials and Applied Physics

Speaker

Ivan Lalov (Professor, Sofia University)

Description

Abstract. Frenkel excitons (FEs) as collectivized electronic excitations are studied using the models of two-strands regular structures with B-DNA geometry. As basic excitations we consider the excitations of the pairs of complementary bases, not the excitations of separate bases, because of the following reasons: 1. Permanent pairing of complementary bases A-T and C-G; 2. Small inter-bases distances. The following cases are treated:
A. Resonant transfer of FEs between equal pairs of complementary bases, e.g. A-T. The models of homopolymers are supposed to contain the equal pair at each step of double helix and one strand contains one base (A-A-A- ...) or alternatively ordered bases (A-T-A-T-…).
B. Non resonant transfer of FEs between different pairs AT↔CG. Two models are studied: a) two-step order sequence with bases in one strand A-C-A-C…; b) four-step order sequence in one strand A-C-T-G-A-C-…
The studied FEs originate from electronic excitations of the pair with transition electric dipole moment perpendicular to the helical axis (for π-π transitions) or parallel to the axis (for n-π transitions).
The corresponding Hamiltonians for each case allow to calculate the tensors of dielectric permittivity and gyration tensors, by using Green functions method (at temperature T=0). The calculations give formulas for excitonic spectra and the manifestation of FEs in linear absorption and in Circular Dichroism spectra.

Primary author

Ivan Lalov (Professor, Sofia University)

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