Application of pulsed heating in time-resolved EPR spectroscopy for longitudinal relaxation measurements

Transient or time-resolved electron paramagnetic resonance spectroscopy (TR EPR) is a powerful method for studying various photogenerated paramagnetic species. The use of low-energy quanta, such as terahertz (THz) radiation, as an external stimulus in TR EPR allows the initiation of spin dynamics without generating new paramagnetic species other than those already present in the system. This spin dynamic reflects the return of the system to thermodynamic equilibrium, governed by a spin-lattice relaxation time, T1. The latter, together with a phase memory time, is of paramount importance for the practical implementation of single-molecule magnets and molecular spin qubits. In this work, we present TR EPR spectroscopy with pulsed heating by THz pulses as a versatile spectroscopic method for determining T1 in a wide range of paramagnetic systems. To define the scope of the method, we developed a numerical model based on the Liouville-von Neumann equation, with the equilibrium density matrix defined by the temperature profile of the lattice. Using experimental data obtained for [CoTp2] (cobalt(II) bis[tris(pyrazolyl)borate]) with S = 3/2, we compared the proposed method with two other commonly used techniques: alternating current (AC) magnetometry and pulsed EPR. All three methods were found to be in qualitative agreement and provided complementary information about the relaxation properties. TR EPR spectroscopy showed the orientation dependence of T1. AC magnetometry revealed the dependence of T1 on the value of the external magnetic field, which was attributed in the literature to a field-induced Raman process. Finally, pulsed EPR spectroscopy was found to be biased by strong spectral diffusion.

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Publication Details

Journal
The Journal of Chemical Physics
Published
2025-10-23
DOI
https://doi.org/10.1063/5.0291635
Primary Topic
Magnetism in coordination complexes
Type
article
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article

Application of pulsed heating in time-resolved EPR spectroscopy for longitudinal relaxation measurements

Yaroslav V. Getmanov, Alexander G. Maryasov, Anatoly R. Melnikov, Nikolay N. Efimov et al.
The Journal of Chemical Physics
Magnetism in coordination complexes
article

Application of pulsed heating in time-resolved EPR spectroscopy for longitudinal relaxation measurements

Yaroslav V. Getmanov, Alexander G. Maryasov, Anatoly R. Melnikov, Nikolay N. Efimov, Matvey V. Fedin, Sergey L. Veber, Nikolay P. Isaev, Anastasia S. Ishchenko
article en

Abstract

Transient or time-resolved electron paramagnetic resonance spectroscopy (TR EPR) is a powerful method for studying various photogenerated paramagnetic species. The use of low-energy quanta, such as terahertz (THz) radiation, as an external stimulus in TR EPR allows the initiation of spin dynamics without generating new paramagnetic species other than those already present in the system. This spin dynamic reflects the return of the system to thermodynamic equilibrium, governed by a spin-lattice relaxation time, T1. The latter, together with a phase memory time, is of paramount importance for the practical implementation of single-molecule magnets and molecular spin qubits. In this work, we present TR EPR spectroscopy with pulsed heating by THz pulses as a versatile spectroscopic method for determining T1 in a wide range of paramagnetic systems. To define the scope of the method, we developed a numerical model based on the Liouville-von Neumann equation, with the equilibrium density matrix defined by the temperature profile of the lattice. Using experimental data obtained for [CoTp2] (cobalt(II) bis[tris(pyrazolyl)borate]) with S = 3/2, we compared the proposed method with two other commonly used techniques: alternating current (AC) magnetometry and pulsed EPR. All three methods were found to be in qualitative agreement and provided complementary information about the relaxation properties. TR EPR spectroscopy showed the orientation dependence of T1. AC magnetometry revealed the dependence of T1 on the value of the external magnetic field, which was attributed in the literature to a field-induced Raman process. Finally, pulsed EPR spectroscopy was found to be biased by strong spectral diffusion.

The Journal of Chemical PhysicsVol. 163(16)
Novosibirsk State University (RU), Novosibirsk Institute of Organic Chemistry (RU), NS Kurnakova Institute of General and Inorganic Chemistry (RU), Institute of Chemical Kinetics and Combustion (RU), International Tomography Center (RU), Budker Institute of Nuclear Physics (RU)
Openalex Percentile: Top 79%
Magnetism in coordination complexes
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