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Internal rotation potential functions of an acryloyl fluoride molecule in the ground (S 0) and excited (S 1) electronic states

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Abstract

Structural parameters of trans- and cis-isomers of an acryloyl fluoride molecule in the ground (S 0) and excited (S 1) electronic states are determined. The F(φ) function is expanded into the Fourier series. The internal rotation potential functions (IRPFs) of acryloyl fluoride in both electronic states are derived. To this end, torsional vibrational transition frequencies of both isomers of this molecule were used, which were obtained from the analysis of the vibrational structure Щf a high resolution UV spectrum of acryloyl fluoride vapor with regard to the geometry and energy difference (ΔH) of the isomers. The IRPF parameters V n of this molecule in the (S 0) state, which were derived based on the transition frequencies of torsional vibrations from the vibrational structure of the high resolution UV spectrum and the IR Fourier spectrum coincided.

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Authors and Affiliations

  1. Moscow State University, Moscow, Russia

    L. A. Koroleva, V. I. Tyulin, V. K. Matveev & Yu. A. Pentin

Authors
  1. L. A. Koroleva
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  2. V. I. Tyulin
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  3. V. K. Matveev
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  4. Yu. A. Pentin
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Correspondence to L. A. Koroleva.

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Original Russian Text © 2015 L. A. Koroleva, V. I. Tyulin, V. K. Matveev, Yu. A. Pentin.

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Translated from Zhurnal Strukturnoi Khimii, Vol. 56, No. 1, pp. 34–40, January–February, 2015.

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Koroleva, L.A., Tyulin, V.I., Matveev, V.K. et al. Internal rotation potential functions of an acryloyl fluoride molecule in the ground (S 0) and excited (S 1) electronic states. J Struct Chem 56, 27–33 (2015). https://doi.org/10.1134/S0022476615010059

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  • DOI: https://doi.org/10.1134/S0022476615010059

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