Siplivy N.B., Ivanov A.I. Features of the electronic structure of excited quadrupolar molecules in non-polar solvents
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https://doi.org/10.15688/mpcm.jvolsu.2021.2.6
Nickolay Borisovich Siplivy
Bachelor of Physical and Mathematical Sciences, Student, Department of Theoretical
Physics and Wave Processes,
Volgograd State University
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https://orcid.org/0000000152370829
Prosp. Universitetsky, 100, 400062 Volgograd, Russian Federation
Anatoly Ivanovich Ivanov
Doctor of Physical and Mathematical Sciences, Professor,
Department of Theoretical Physics and Wave Processes,
Volgograd State University
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https://orcid.org/0000000244205863
Prosp. Universitetsky, 100, 400062 Volgograd, Russian Federation
Abstract. Interactions of the electronic subsystem of the quadrupolar fluorophore with intramolecular highfrequency antisymmetric vibrations and solvent polarization are responsible for charge transfer symmetry breaking (SB), which is observed after optical excitation of such molecules in polar solvents. It is known that although these two interactions are mathematically described in similar ways, only the interaction of the fluorophore with solvent orientational polarization can create a state with broken symmetry if this interaction is strong enough. Nevertheless, the interaction of a quadrupolar fluorophore with intramolecular highfrequency antisymmetric vibrations in nonpolar solvents leads to a considerable reconstruction of the electronic subsystem. The analysis of the excited state of quadrupolar molecules in nonpolar solvents performed in this study reveals that such molecules can behave like quantum twostate systems, that is, as a quasispin s = 1/2, having an electric dipole moment instead of a magnetic one. This feature of excited quadrupolar molecules may be of interest to emerging technologies of molecular electronics.
Key words: dissymmetry parameter, electronicvibrational interaction, symmetric donoracceptor triad, electron transfer, molecules.
Features of the electronic structure of excited quadrupolar molecules in non-polar solvents by Siplivy N.B., Ivanov A.I. is licensed under a Creative Commons Attribution 4.0 International License.
Citation in English: Mathematical Physics and Computer Simulation. Vol. 24 No. 2 2021, pp. 68-84
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