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Estimation of electrooptical parameters of EХ3 molecules in ground and excited states from empirical correlation equations

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Abstract

Basing on the experimental data, it has been shown that for EХ3 (E = N, P, As, or Sb; X = F, Cl, Br, I, CH3, С6Н5, or SiH3) compounds the value of the difference between first ionization potentials of atoms and molecules is a function of the bond angle and dipole moment of the molecule. The calculated values of dipole moments of charged atoms and groups are regularly changed within the considered compounds series. The change of the dipole moment of the molecules during the vibrational excitation has been determined, and intensities of symmetric stretching and deformation bands in IR spectra of EF3 and ECl3 compounds have been estimated.

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Authors and Affiliations

  1. Kazan State Energy University, ul. Krasnosel’skaya 51, Tatarstan, Kazan, 420066, Russia

    K. F. Khalitov, V. F. Novikov & F. G. Khalitov

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  1. K. F. Khalitov
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  2. V. F. Novikov
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  3. F. G. Khalitov
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Correspondence to F. G. Khalitov.

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Original Russian Text © K.F. Khalitov, V.F. Novikov, F.G. Khalitov, 2016, published in Zhurnal Obshchei Khimii, 2016, Vol. 86, No. 10, pp. 1640–1646.

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Khalitov, K.F., Novikov, V.F. & Khalitov, F.G. Estimation of electrooptical parameters of EХ3 molecules in ground and excited states from empirical correlation equations. Russ J Gen Chem 86, 2288–2294 (2016). https://doi.org/10.1134/S1070363216100078

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  • DOI: https://doi.org/10.1134/S1070363216100078

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