Kr–Cl stretching vibration of HKrCl: Matrix-isolation and anharmonic ab initio study

dc.contributor.author	Lignell, Antti
dc.contributor.author	Lundell, Jan
dc.contributor.author	Pettersson, Mika
dc.contributor.author	Khriachtchev, Leonid
dc.contributor.author	Räsänen, Markku
dc.date.accessioned	2018-01-14T13:16:03Z
dc.date.available	2018-01-14T13:16:03Z
dc.date.issued	2003
dc.identifier.citation	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.	uk_UA
dc.identifier.issn	0132-6414
dc.identifier.other	PACS: 33.15.-e
dc.identifier.uri	http://dspace.nbuv.gov.ua/handle/123456789/128937
dc.description.abstract	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.	uk_UA
dc.description.sponsorship	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).	uk_UA
dc.language.iso	en	uk_UA
dc.publisher	Фізико-технічний інститут низьких температур ім. Б.І. Вєркіна НАН України	uk_UA
dc.relation.ispartof	Физика низких температур
dc.subject	Spectroscopy in Cryocrystals and Matrices	uk_UA
dc.title	Kr–Cl stretching vibration of HKrCl: Matrix-isolation and anharmonic ab initio study	uk_UA
dc.type	Article	uk_UA
dc.status	published earlier	uk_UA