TESEO is a new simulation toolbox to support the study of photoexcited triplet states conducted by most common Electron Paramagnetic Resonance (EPR) methods, in particular time-resolved and echo-detected experiments. TESEO allows the simulation of the spectra of triplet states having spin-polarized triplet sublevels; different polarization mechanisms are considered. Not only does TESEO allow to study the static properties of the system, but it also considers the time evolution of the signal. It deals with spin dynamics due to librational motion and anisotropic T1 and T2 relaxation times, which are typical of triplet states considering the kinetic evolution of the population of the levels. Moreover, it also implements magnetophotoselection effects in the presence of one or two transition dipole moments. A graphical interface makes the program user-friendly and allows for easy access and control of all simulation parameters.
Analysis and Simulation of EPR Spectra of Photoexcited Triplet States
Strzelczyk, R;Ciuti, S;Bortolus, M;Franco, L;Zoleo, A;Ruzzi, M;Toffoletti, A;Di Valentin, M;Carbonera, D;Barbon, A
2023
Abstract
TESEO is a new simulation toolbox to support the study of photoexcited triplet states conducted by most common Electron Paramagnetic Resonance (EPR) methods, in particular time-resolved and echo-detected experiments. TESEO allows the simulation of the spectra of triplet states having spin-polarized triplet sublevels; different polarization mechanisms are considered. Not only does TESEO allow to study the static properties of the system, but it also considers the time evolution of the signal. It deals with spin dynamics due to librational motion and anisotropic T1 and T2 relaxation times, which are typical of triplet states considering the kinetic evolution of the population of the levels. Moreover, it also implements magnetophotoselection effects in the presence of one or two transition dipole moments. A graphical interface makes the program user-friendly and allows for easy access and control of all simulation parameters.
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