Analytical presentation of symmetrized vibrational functions of high symmetry molecules for applications in molecular spectroscopy and chemical physics: Accurate prediction of the vibrational spectrum of GeH4 up to 8000 cm−1 as a relevant application example

Analytical presentation of symmetrized vibrational functions of high symmetry molecules for applications in molecular spectroscopy and chemical physics: Accurate prediction of the vibrational spectrum of GeH4 up to 8000 cm−1 as a relevant application example

Podrobná bibliografie
Parent link:Journal of Quantitative Spectroscopy and Radiative Transfer.— .— Amsterdam: Elsevier Science Publishing Company Inc.
Vol. 321.— 2024.— Article number 108997, 8 p.
Korporativní autor: National Research Tomsk Polytechnic University
Další autoři: Ulenekov (Ulenikov) O. N. Oleg Nikolaevich, Bekhtereva E. S. Elena Sergeevna, Gromova O. V. Olga Vasilievna, Fomchenko A. L. Anna Leonidovna, Bauerekker Z. Kh. Zigurd Khermann
Shrnutí:Title screen
We report here the analytical description of vibrational wave functions being most important for applications in quantum mechanics, molecular and chemical physics as applied to the high symmetry XY4 (𝑇𝑑) molecules. A general method is discussed and, for the first time, all vibrational functions of such molecule type are presented in an analytical and symmetrized form for all polyads up to the polyad number 𝑁=4. To illustrate the relevant application of the derived results, an accurate prediction of all vibrational band centers up to 8000 cm−1 is made for five stable isotopologues 𝑀GeH4 (𝑀=76,74,73,72,70) of the germane molecule
Текстовый файл
AM_Agreement
Vydáno: 2024
Témata:
электронный ресурс
труды учёных ТПУ
analytical presentation of vibrational symmetrized wave functions
spherical top molecules
vibrational energies of GeH4
On-line přístup:https://doi.org/10.1016/j.jqsrt.2024.108997
Médium: Elektronický zdroj Kapitola
KOHA link:https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=672409

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