Kr–Cl stretching vibration of HKrCl: Matrix-isolation and anharmonic ab initio study
The Kr–Cl stretching vibration of HKrCl molecule is studied. The absorption shows ³⁵Cl and ³⁷Cl isotopic splitting due to natural abundance of the Cl isotopes. The observed Kr–Cl stretching vibrations of the HKrCl are at 253.1 (³⁵Cl) and 248.3 cm–¹ (³⁷Cl). Deuteration of the HKrCl does not cause exp...
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| Дата: | 2003 |
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| Автори: | , , , , |
| Формат: | Стаття |
| Мова: | English |
| Опубліковано: |
Фізико-технічний інститут низьких температур ім. Б.І. Вєркіна НАН України
2003
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| Назва видання: | Физика низких температур |
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| Онлайн доступ: | http://dspace.nbuv.gov.ua/handle/123456789/128937 |
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| Назва журналу: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Цитувати: | Kr–Cl stretching vibration of HKrCl: Matrix-isolation and anharmonic ab initio study / Antti Lignell, Jan Lundell, Mika Pettersson, Leonid Khriachtchev, Markku Räsänen // Физика низких температур. — 2003. — Т. 29, № 9-10. — С. 1109-1112. — Бібліогр.: 23 назв. — англ. |
Репозитарії
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irk-123456789-128937 |
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irk-123456789-1289372018-01-15T03:03:45Z Kr–Cl stretching vibration of HKrCl: Matrix-isolation and anharmonic ab initio study Lignell, Antti Lundell, Jan Pettersson, Mika Khriachtchev, Leonid Räsänen, Markku Spectroscopy in Cryocrystals and Matrices The Kr–Cl stretching vibration of HKrCl molecule is studied. The absorption shows ³⁵Cl and ³⁷Cl isotopic splitting due to natural abundance of the Cl isotopes. The observed Kr–Cl stretching vibrations of the HKrCl are at 253.1 (³⁵Cl) and 248.3 cm–¹ (³⁷Cl). Deuteration of the HKrCl does not cause experimentally a shift of the Kr–Cl stretching frequency. In addition to the Kr–Cl stretching mode, the bending mode of DKrCl is observed at 397.7 cm–¹. The vibrational analysis suggests that the Kr–Cl bond show, in addition to ionic, some covalent character. Anharmonic ab initio calculations are employed to verify vibrational properties of various isotopologues of HKrCl. 2003 Article Kr–Cl stretching vibration of HKrCl: Matrix-isolation and anharmonic ab initio study / Antti Lignell, Jan Lundell, Mika Pettersson, Leonid Khriachtchev, Markku Räsänen // Физика низких температур. — 2003. — Т. 29, № 9-10. — С. 1109-1112. — Бібліогр.: 23 назв. — англ. 0132-6414 PACS: 33.15.-e http://dspace.nbuv.gov.ua/handle/123456789/128937 en Физика низких температур Фізико-технічний інститут низьких температур ім. Б.І. Вєркіна НАН України |
| institution |
Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| collection |
DSpace DC |
| language |
English |
| topic |
Spectroscopy in Cryocrystals and Matrices Spectroscopy in Cryocrystals and Matrices |
| spellingShingle |
Spectroscopy in Cryocrystals and Matrices Spectroscopy in Cryocrystals and Matrices Lignell, Antti Lundell, Jan Pettersson, Mika Khriachtchev, Leonid Räsänen, Markku Kr–Cl stretching vibration of HKrCl: Matrix-isolation and anharmonic ab initio study Физика низких температур |
| description |
The Kr–Cl stretching vibration of HKrCl molecule is studied. The absorption shows ³⁵Cl and ³⁷Cl isotopic splitting due to natural abundance of the Cl isotopes. The observed Kr–Cl stretching vibrations of the HKrCl are at 253.1 (³⁵Cl) and 248.3 cm–¹ (³⁷Cl). Deuteration of the HKrCl does not cause experimentally a shift of the Kr–Cl stretching frequency. In addition to the Kr–Cl stretching mode, the bending mode of DKrCl is observed at 397.7 cm–¹. The vibrational analysis suggests that the Kr–Cl bond show, in addition to ionic, some covalent character. Anharmonic ab initio calculations are employed to verify vibrational properties of various isotopologues of HKrCl. |
| format |
Article |
| author |
Lignell, Antti Lundell, Jan Pettersson, Mika Khriachtchev, Leonid Räsänen, Markku |
| author_facet |
Lignell, Antti Lundell, Jan Pettersson, Mika Khriachtchev, Leonid Räsänen, Markku |
| author_sort |
Lignell, Antti |
| title |
Kr–Cl stretching vibration of HKrCl: Matrix-isolation and anharmonic ab initio study |
| title_short |
Kr–Cl stretching vibration of HKrCl: Matrix-isolation and anharmonic ab initio study |
| title_full |
Kr–Cl stretching vibration of HKrCl: Matrix-isolation and anharmonic ab initio study |
| title_fullStr |
Kr–Cl stretching vibration of HKrCl: Matrix-isolation and anharmonic ab initio study |
| title_full_unstemmed |
Kr–Cl stretching vibration of HKrCl: Matrix-isolation and anharmonic ab initio study |
| title_sort |
kr–cl stretching vibration of hkrcl: matrix-isolation and anharmonic ab initio study |
| publisher |
Фізико-технічний інститут низьких температур ім. Б.І. Вєркіна НАН України |
| publishDate |
2003 |
| topic_facet |
Spectroscopy in Cryocrystals and Matrices |
| url |
http://dspace.nbuv.gov.ua/handle/123456789/128937 |
| citation_txt |
Kr–Cl stretching vibration of HKrCl: Matrix-isolation and anharmonic ab initio study / Antti Lignell, Jan Lundell, Mika Pettersson, Leonid Khriachtchev, Markku Räsänen // Физика низких температур. — 2003. — Т. 29, № 9-10. — С. 1109-1112. — Бібліогр.: 23 назв. — англ. |
| series |
Физика низких температур |
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2023-10-18T20:56:29Z |
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