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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| Опубліковано в: : | Физика низких температур |
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| Дата: | 2003 |
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| Формат: | Стаття |
| Мова: | English |
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Фізико-технічний інститут низьких температур ім. Б.І. Вєркіна НАН України
2003
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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. |
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Digital Library of Periodicals of National Academy of Sciences of Ukraine| id |
nasplib_isofts_kiev_ua-123456789-128937 |
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Lignell, Antti Lundell, Jan Pettersson, Mika Khriachtchev, Leonid Räsänen, Markku 2018-01-14T13:16:03Z 2018-01-14T13:16:03Z 2003 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 https://nasplib.isofts.kiev.ua/handle/123456789/128937 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. Ministry of Education, Finland supported this work. The CSC-Center for Scientific Computing Ltd. (Espoo, Finland) is thanked for providing excellent computer facilities. A.L. is a member of the graduate school LASKEMO (Academy of Finland). en Фізико-технічний інститут низьких температур ім. Б.І. Вєркіна НАН України Физика низких температур Spectroscopy in Cryocrystals and Matrices Kr–Cl stretching vibration of HKrCl: Matrix-isolation and anharmonic ab initio study Article published earlier |
| institution |
Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| collection |
DSpace DC |
| title |
Kr–Cl stretching vibration of HKrCl: Matrix-isolation and anharmonic ab initio study |
| spellingShingle |
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 |
| 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 |
| author |
Lignell, Antti Lundell, Jan Pettersson, Mika Khriachtchev, Leonid Räsänen, Markku |
| author_facet |
Lignell, Antti Lundell, Jan Pettersson, Mika Khriachtchev, Leonid Räsänen, Markku |
| topic |
Spectroscopy in Cryocrystals and Matrices |
| topic_facet |
Spectroscopy in Cryocrystals and Matrices |
| publishDate |
2003 |
| language |
English |
| container_title |
Физика низких температур |
| publisher |
Фізико-технічний інститут низьких температур ім. Б.І. Вєркіна НАН України |
| format |
Article |
| 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.
|
| issn |
0132-6414 |
| url |
https://nasplib.isofts.kiev.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. |
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2025-12-07T21:06:22Z |
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