Thermodynamic functions of germane isotopologues AGeH4 (A = 70, 72, 73, 74, 76) calculated from high-resolution IR spectra

Thermodynamic functions of germane isotopologues AGeH4 (A = 70, 72, 73, 74, 76) calculated from high-resolution IR spectra

Podrobná bibliografie
Parent link:Journal of Molecular Spectroscopy.— .— Amsterdam: Elsevier Science Publishing Company Inc.
Vol. 402.— 2024.— Article number 111914, 21 p.
Korporativní autor: Национальный исследовательский Томский политехнический университет
Další autoři: Velmuzhova I. A., Koshelev M. A., Velmuzhov A. P. Aleksandr Pavlovich, Ulenekov (Ulenikov) O. N. Oleg Nikolaevich, Gromova O. V. Olga Vasilievna
Shrnutí:Title screen
Standard thermodynamic functions of germane isotopologues 70GeH4, 72GeH4, 73GeH4, 74GeH4, and 76GeH4 are calculated in “harmonic oscillator – rigid rotator” and “anharmonic oscillator – oscillating non-rigid rotator” approximations and by the direct summation of the experimental energy values. To found the values of thermodynamic functions in the 200–700 K temperature range, approximation coefficients are determined by regression analysis. The isotope effect influence on the values of the standard isobaric heat capacity, entropy, enthalpy of heating, and the reduced isobaric-isothermal potential of germane is established. Limiting requirements for the accuracy of determining the spectral parameters for detecting the influence of the isotope effect on the thermodynamic functions and interatomic distances in the germane molecule are formulated.
Текстовый файл
AM_Agreement
Jazyk:angličtina
Vydáno: 2024
Témata:
электронный ресурс
труды учёных ТПУ
Germane
Isotopic enrichment
Statistical thermodynamics
Vibration–rotation spectra
On-line přístup:https://doi.org/10.1016/j.jms.2024.111914
Médium: Elektronický zdroj Kapitola
KOHA link:https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=672608

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