High resolution analysis of the CD deuterated methane: Extended investigation of the pentad region; Journal of Quantitative Spectroscopy and Radiative Transfer; Vol. 329

High resolution analysis of the CD deuterated methane: Extended investigation of the pentad region; Journal of Quantitative Spectroscopy and Radiative Transfer; Vol. 329

Bibliografiska uppgifter
Parent link:Journal of Quantitative Spectroscopy and Radiative Transfer.— .— Amsterdam: Elsevier Science Publishing Company Inc.
Vol. 329.— 2024.— Article number 109205, 16 p.
Övriga upphovsmän: Ulenekov (Ulenikov) O. N. Oleg Nikolaevich, Gromova O. V. Olga Vasilievna, Bekhtereva E. S. Elena Sergeevna, Aslapovskaya Yu. S. Yuliya Sergeevna, Sypchenko Yu. V. Yuliya Vladimirovna, Sydow Ch. Christian, Maul Ch. Christof, Bauerecker S. Sigurd
Sammanfattning:Title screen
A highly accurate rotational–vibrational analysis of Fourier transform infrared spectra of the 12CD4 molecule is presented. The high resolution infrared spectra were measured with a IFS125 HR Fourier transform interferometer from Bruker at an optical resolution of 0.003 cm−1 and analyzed in the 1750–2400 cm−1 region. Here the 2ν2, ν2+ν4, 2ν4, ν1 and ν3 bands (altogether, nine sub-bands of different symmetry) of the pentad are located. The number of 1213/1993/1576/77/1582 transitions with the Jmax = 23/23/23/14/32 were assigned to the 2ν2, ν2+ν4, 2ν4, ν1 and ν3 bands of 12CD4. The obtained experimental data were used for the determination of the upper ro-vibrational energy values. To provide more correct values of the upper energies, more than 7800 highly accurate “hot” transitions from the dyad region were additionally processed. In general, 4088 upper ro-vibrational energies of the pentad (for comparison, 2525 upper ro-vibrational energies with the value of Jmax=20 are known in the modern literature up to now) were determined, which were used then in the weighted fit procedure with a goal to determine the spectroscopic parameters (band centers, rotational, centrifugal distortion, tetrahedral splitting and resonance interaction parameters) of the effective Hamiltonian. The obtained drms value is 5.5×10−4 cm−1 which is almost one hundred times better than the reproduction of the same set of experimental data by the parameters known in the earlier literature
Текстовый файл
AM_Agreement
Språk:engelska
Publicerad: 2024
Ämnen:
электронный ресурс
труды учёных ТПУ
Länkar:https://doi.org/10.1016/j.jqsrt.2024.109205
Materialtyp: Elektronisk Bokavsnitt
KOHA link:https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=675576

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