High-resolution spectroscopy of C2H3D: Line positions and energy structure of the strongly interacting ν10,ν7,ν8,ν4 and ν6 bands
| Parent link: | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Vol. 279.— 2022.— [121401, 20 p.] |
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| Nhiều tác giả của công ty: | , |
| Tác giả khác: | , , , , , , , |
| Tóm tắt: | Title screen High resolution infrared spectra of C2H3D were recorded in the region of 550-1950 cm−1 with a Bruker IFS125 HR Fourier transform infrared spectrometers and rotational structures of the five lowest strongly interacting ν10, ν7,ν8,ν4 and ν6 bands were analyzed. The number of about 28000 transitions (4200/6800/5600/5000/6400 for the bands ν10,ν7,ν8,ν4 and ν6) with Jmax = 40 and Kamax = 20 were assigned to these five bands. The weighted fit of 3990 upper energy values obtained from the experimentally recorded transitions was made with a Hamiltonian which takes into account resonance interactions between all studied bands as well as with the sixth ν3 band which was considered in this case as a “dark” one. As the result of analysis, a set of 279 fitted parameters was obtained which reproduces the initial 3990 upper “experimental” ro-vibrational energy values with the drms=1.7×10-4 cm−1; the initial nonsaturated, unblended and not very weak of 28000 assigned transitions are reproduced with the drms=2.2×10-4 cm−1. Ground state parameters of the C2H3D molecule were improved as well. Режим доступа: по договору с организацией-держателем ресурса |
| Được phát hành: |
2022
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| Những chủ đề: | |
| Truy cập trực tuyến: | https://doi.org/10.1016/j.saa.2022.121401 |
| Định dạng: | Điện tử Chương của sách |
| KOHA link: | https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=668016 |
| Tóm tắt: | Title screen High resolution infrared spectra of C2H3D were recorded in the region of 550-1950 cm−1 with a Bruker IFS125 HR Fourier transform infrared spectrometers and rotational structures of the five lowest strongly interacting ν10, ν7,ν8,ν4 and ν6 bands were analyzed. The number of about 28000 transitions (4200/6800/5600/5000/6400 for the bands ν10,ν7,ν8,ν4 and ν6) with Jmax = 40 and Kamax = 20 were assigned to these five bands. The weighted fit of 3990 upper energy values obtained from the experimentally recorded transitions was made with a Hamiltonian which takes into account resonance interactions between all studied bands as well as with the sixth ν3 band which was considered in this case as a “dark” one. As the result of analysis, a set of 279 fitted parameters was obtained which reproduces the initial 3990 upper “experimental” ro-vibrational energy values with the drms=1.7×10-4 cm−1; the initial nonsaturated, unblended and not very weak of 28000 assigned transitions are reproduced with the drms=2.2×10-4 cm−1. Ground state parameters of the C2H3D molecule were improved as well. Режим доступа: по договору с организацией-держателем ресурса |
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| DOI: | 10.1016/j.saa.2022.121401 |