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Comparative Analysis of the Capabilities of Spectral Methods in Studying the Internal Rotation of Compounds of the Benzoic Series

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Moscow University Chemistry Bulletin Aims and scope

Abstract

In this review the methods used to study internal rotation (IR) in the ground (S0) and excited (S1) electronic states for compounds of the benzoic series C6H5–COR, where R = H, F, and CI, are compared. In the (S0) electronic state, differences in the values of (0–v) transitions of the torsional vibration for the studied compounds are revealed in the methods of analysis of the vibrational structure of the n–π* transition of high-resolution UV absorption spectra and Fourier-transform IR spectra. The reasons for such differences are established. In the excited (S1) state for benzaldehyde, the method of analyzing the vibrational structure of the n–π* transition of high-resolution UV absorption spectra and the method of analyzing the excitation spectra of the sensitized phosphorescence of this compound in a cooled jet are compared. It is concluded that the method of analyzing the vibrational structure of the n–π* transition of the high-resolution UV absorption spectra of vapors of the investigated compounds is more reliable and accurate when studying the IR in both electronic states.

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Funding

This study was carried out as part of state task no. 121031300176-3.

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Authors and Affiliations

  1. Faculty of Chemistry, Moscow State University, 119991, Moscow, Russia

    L. A. Koroleva

  2. Faculty of Physics, Moscow State University, 119991, Moscow, Russia

    A. V. Koroleva

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  1. L. A. Koroleva
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  2. A. V. Koroleva
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Correspondence to L. A. Koroleva.

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Translated by Sh. Galyaltdinov

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Koroleva, L.A., Koroleva, A.V. Comparative Analysis of the Capabilities of Spectral Methods in Studying the Internal Rotation of Compounds of the Benzoic Series. Moscow Univ. Chem. Bull. 79, 1–13 (2024). https://doi.org/10.3103/S002713142401005X

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