Solvent-assisted multistage nonequilibrium electron transfer in rigid supramolecular systems: Diabatic free energy surfaces and algorithms for numerical simulations

SV Feskov, AI Ivanov - The Journal of Chemical Physics, 2018 - pubs.aip.org
An approach to the construction of diabatic free energy surfaces (FESs) for ultrafast electron
transfer (ET) in a supramolecule with an arbitrary number of electron localization centers …

Simulations of the Ultrafast Transient Absorption Dynamics of a Donor–Acceptor Biaryl in Solution

RG Fedunov, AV Plotnikova, AI Ivanov… - The Journal of …, 2017 - ACS Publications
A model for simulating the transient electronic absorption spectra of donor–acceptor dyads
undergoing ultrafast intramolecular charge transfer in solution has been developed. It is …

Free-energy-gap law for ultrafast charge recombination of ion pairs formed by intramolecular photoinduced electron transfer

AE Nazarov, R Malykhin, AI Ivanov - The Journal of Physical …, 2017 - ACS Publications
In this article, regularities of ultrafast charge recombination (CR) kinetics in photoinduced
intramolecular electron transfer in polar solvents are studied. The kinetics of charge …

Verification of Nonequilibrium Mechanism of Ultrafast Charge Recombination in Excited Donor–Acceptor Complexes

TV Mikhailova, VA Mikhailova… - The Journal of Physical …, 2017 - ACS Publications
Control of charge transfer requires knowledge of its detailed mechanism. Due to the large
number of known mechanisms, the identification of the mechanism in specific systems is a …

The effect of solvent relaxation time constants on free energy gap law for ultrafast charge recombination following photoinduced charge separation

VA Mikhailova, RE Malykhin, AI Ivanov - Photochemical & Photobiological …, 2018 - Springer
To elucidate the regularities inherent in the kinetics of ultrafast charge recombination
following photo-induced charge separation in donor–acceptor dyads in solutions, the …

Effect of reactant and product state decay on ultrafast charge-transfer kinetics: violation of the principle of independence of elementary chemical reactions

VA Mikhailova, AI Ivanov - The Journal of Physical Chemistry C, 2017 - ACS Publications
Fast decay of both the reactant and product states is shown to strongly increase the intrinsic
electron transfer rate in donor–acceptor dyads. The decay is associated with redistribution …

Effect of charge separation free energy gap on the rate constant of ultrafast charge recombination in ion pairs formed by intramolecular photoinduced electron transfer

AE Nazarov, GG Eloev, AI Ivanov - Journal of Photochemistry and …, 2018 - Elsevier
Regularities of ultrafast charge recombination kinetics in photoinduced intramolecular
electron transfer in polar solvent are investigated. The multichannel stochastic model is used …

Quantum yield and energy efficiency of photoinduced intramolecular charge separation

NB Siplivy, SV Feskov, AI Ivanov - The Journal of Chemical Physics, 2020 - pubs.aip.org
Kinetics of photoinduced intramolecular charge separation (CS) and the ensuing ultrafast
charge recombination (CR) in electron-donor–acceptor dyads are studied numerically …

The Efficiency of Photoinduced Intramolecular Charge Separation from the Second Excited State: What Factors Can Control It?

SV Feskov, RE Malykhin, AI Ivanov - The Journal of Physical …, 2020 - ACS Publications
The efficiency of photoinduced charge separation (CS) in electron donor–acceptor
compounds is commonly limited due to fast deactivation processes, such as the excited …

Effect of the transition rate between two excited states on the spectral dynamics of dual fluorescence: Blurring of the isoemissive point

AE Nazarov, AI Ivanov - Journal of Photochemistry and Photobiology A …, 2021 - Elsevier
We study the fluorescence spectral dynamics of a molecule with two excited fluorescent
states (called the precursor and product) within the stochastic point transition model, which …