Charge separation, charge recombination, long-lived charge transfer state formation and intersystem crossing in organic electron donor/acceptor dyads

Y Hou, X Zhang, K Chen, D Liu, Z Wang… - Journal of Materials …, 2019 - pubs.rsc.org
Photo-induced charge separation (CS) and charge recombination (CR) are crucial for
molecular systems used in artificial photosynthesis, photovoltaics, and photocatalysis, and …

The excited-state dynamics of the radical anions of cyanoanthracenes

JS Beckwith, A Aster, E Vauthey - Physical Chemistry Chemical …, 2022 - pubs.rsc.org
The radical anion of 9, 10-dicyanoanthracene (DCA) has been suggested to be a promising
chromophore for photoredox chemistry, due to its nanosecond excited-state lifetime …

Elucidating the mechanism of bimolecular photoinduced electron transfer reactions

E Vauthey - The Journal of Physical Chemistry B, 2022 - ACS Publications
The current developments in photoredox chemistry are stimulating a renewed interest for
bimolecular photoinduced electron transfer reactions. Their investigation, initiated in the …

Electronic coupling and spin–orbit charge-transfer intersystem crossing in phenothiazine–perylene compact electron donor/acceptor dyads

M Imran, AA Sukhanov, Z Wang, A Karatay… - The Journal of …, 2019 - ACS Publications
We prepared perylene (Pery)-phenothiazine (PTZ) compact donor/acceptor dyads with
connection at either N-or 2-C positions of the PTZ moiety to attain molecular conformation …

The effect of energy level degeneracy on symmetry-breaking charge transfer: Excited octupolar dyes

NB Siplivy, AI Ivanov - The Journal of Chemical Physics, 2023 - pubs.aip.org
A three-level model of symmetry-breaking charge transfer (SBCT) in excited octupolar
molecules is developed. The model describes the joint dynamics of the solvent and the dye …

Full relaxation dynamics recovery from ultrafast fluorescence experiments by means of the stochastic model: Does the solvent response dynamics depend on the …

AE Nazarov, AI Ivanov, A Rosspeintner… - Journal of Molecular …, 2022 - Elsevier
An approach to analysing time-resolved fluorescence spectra has been developed for dyes
with non-parabolic free energy curves of the excited and ground states. It incorporates the …

Nonstationary theory of excited state charge transfer symmetry breaking driven by polar solvent

AE Nazarov, AI Ivanov - The Journal of Physical Chemistry B, 2020 - ACS Publications
A consistent theory of electron transfer symmetry breaking (SB) dynamics in excited
quadrupolar molecules in polar solvents is developed. The interaction of the electronic …

Extracting the frequency-dependent dynamic Stokes shift from two-dimensional electronic spectra with prominent vibrational coherences

J Lu, Y Lee, JM Anna - The Journal of Physical Chemistry B, 2020 - ACS Publications
The dynamic Stokes shift is a common means for characterizing ultrafast solvation dynamics
of electronically excited states. Here we extract the excitation frequency-dependent dynamic …

Theory of fluorescence spectrum dynamics and its application to determining the relaxation characteristics of the solvent and intramolecular vibrations

RG Fedunov, IP Yermolenko, AE Nazarov… - Journal of Molecular …, 2020 - Elsevier
A general analytical expression for the transient fluorescence spectrum is derived. The
formation of a wave packet in the excited state of a fluorophore is described, assuming that …

Principles of modeling the fluorescence spectral dynamics of dye molecules in solutions

AE Nazarov, AI Ivanov - Computer Physics Communications, 2022 - Elsevier
Abstract FSDS is Fluorescence Spectral Dynamics Simulator, designed to investigate
photoinduced charge transfer and its manifestations in time-resolved fluorescence spectra of …