Thermodynamic functions of germane isotopologues AGeH4 (A = 70, 72, 73, 74, 76) calculated from high-resolution IR spectra; Journal of Molecular Spectroscopy; Vol. 402

Thermodynamic functions of germane isotopologues AGeH4 (A = 70, 72, 73, 74, 76) calculated from high-resolution IR spectra; Journal of Molecular Spectroscopy; Vol. 402

Detalles Bibliográficos
Parent link:Journal of Molecular Spectroscopy.— .— Amsterdam: Elsevier Science Publishing Company Inc.
Vol. 402.— 2024.— Article number 111914, 21 p.
Autor Corporativo: Национальный исследовательский Томский политехнический университет
Outros autores: Velmuzhova I. A., Koshelev M. A., Velmuzhov A. P. Aleksandr Pavlovich, Ulenekov (Ulenikov) O. N. Oleg Nikolaevich, Gromova O. V. Olga Vasilievna
Summary: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
Idioma:inglés
Publicado: 2024
Subjects:
электронный ресурс
труды учёных ТПУ
Germane
Isotopic enrichment
Statistical thermodynamics
Vibration–rotation spectra
Acceso en liña:https://doi.org/10.1016/j.jms.2024.111914
Formato: Electrónico Capítulo de libro
KOHA link:https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=672608

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