Estimation of electrooptical parameters of EХ3 molecules in ground and excited states from empirical correlation equations
- Autores: Khalitov K.1, Novikov V.1, Khalitov F.1
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Afiliações:
- Kazan State Energy University
- Edição: Volume 86, Nº 10 (2016)
- Páginas: 2288-2294
- Seção: Article
- URL: https://journals.rcsi.science/1070-3632/article/view/216305
- DOI: https://doi.org/10.1134/S1070363216100078
- ID: 216305
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Resumo
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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Sobre autores
K. Khalitov
Kazan State Energy University
Email: khalitovfar@mail.ru
Rússia, ul. Krasnosel’skaya 51, Tatarstan, Kazan, 420066
V. Novikov
Kazan State Energy University
Email: khalitovfar@mail.ru
Rússia, ul. Krasnosel’skaya 51, Tatarstan, Kazan, 420066
F. Khalitov
Kazan State Energy University
Autor responsável pela correspondência
Email: khalitovfar@mail.ru
Rússia, ul. Krasnosel’skaya 51, Tatarstan, Kazan, 420066