Observation and rovibrational analysis of the intermolecular HCl libration band v(4)(1) in OC-HCl. Modeling of the intermolecular potential energy surface
(2004) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 108(9). p.1524-1530- Abstract
- The high-resolution far-infrared spectrum of the intermolecular HC1 libration band v(4)(1) of the OC-H(35)C1 heterodimer is recorded in the gas phase by means of Fourier transform IR spectroscopy in a static multipass absorption cell at 137 K using a synchrotron radiation source. This is the first direct observation of an intermolecular vibration band of the OC-HC1 dimer in the gas phase. The rotational structure of the band has the typical appearance of a perpendicular band of a linear polyatomic molecule. The structure is analyzed to yield the band origin nu(0) = 201.20464(27) cm(-1) together with values for the upper state rotational constant, the upper state quartic and sextic centrifugal distortion constants, and the l-type doubling... (More)
- The high-resolution far-infrared spectrum of the intermolecular HC1 libration band v(4)(1) of the OC-H(35)C1 heterodimer is recorded in the gas phase by means of Fourier transform IR spectroscopy in a static multipass absorption cell at 137 K using a synchrotron radiation source. This is the first direct observation of an intermolecular vibration band of the OC-HC1 dimer in the gas phase. The rotational structure of the band has the typical appearance of a perpendicular band of a linear polyatomic molecule. The structure is analyzed to yield the band origin nu(0) = 201.20464(27) cm(-1) together with values for the upper state rotational constant, the upper state quartic and sextic centrifugal distortion constants, and the l-type doubling constant. The determined values for the rotational constant and the centrifugal distortion constants are used to obtain a Morse potential for the stretching of the intermolecular distance. The results are compared to the results from quantum-chemical calculations. (Less)
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/139100
- author
- Wugt Larsen, René LU ; Hegelund, F and Nelander, Bengt LU
- organization
- publishing date
- 2004
- type
- Contribution to journal
- publication status
- published
- subject
- in
- The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory
- volume
- 108
- issue
- 9
- pages
- 1524 - 1530
- publisher
- The American Chemical Society (ACS)
- external identifiers
-
- wos:000220021400009
- scopus:1542275559
- ISSN
- 1520-5215
- DOI
- 10.1021/jp036935u
- language
- English
- LU publication?
- yes
- additional info
- The information about affiliations in this record was updated in December 2015. The record was previously connected to the following departments: Chemical Physics (S) (011001060), Max-laboratory (011012005)
- id
- bf2102bd-7af6-4dab-ae3a-c3ea7754295f (old id 139100)
- date added to LUP
- 2016-04-01 15:53:38
- date last changed
- 2022-03-22 06:54:58
@article{bf2102bd-7af6-4dab-ae3a-c3ea7754295f, abstract = {{The high-resolution far-infrared spectrum of the intermolecular HC1 libration band v(4)(1) of the OC-H(35)C1 heterodimer is recorded in the gas phase by means of Fourier transform IR spectroscopy in a static multipass absorption cell at 137 K using a synchrotron radiation source. This is the first direct observation of an intermolecular vibration band of the OC-HC1 dimer in the gas phase. The rotational structure of the band has the typical appearance of a perpendicular band of a linear polyatomic molecule. The structure is analyzed to yield the band origin nu(0) = 201.20464(27) cm(-1) together with values for the upper state rotational constant, the upper state quartic and sextic centrifugal distortion constants, and the l-type doubling constant. The determined values for the rotational constant and the centrifugal distortion constants are used to obtain a Morse potential for the stretching of the intermolecular distance. The results are compared to the results from quantum-chemical calculations.}}, author = {{Wugt Larsen, René and Hegelund, F and Nelander, Bengt}}, issn = {{1520-5215}}, language = {{eng}}, number = {{9}}, pages = {{1524--1530}}, publisher = {{The American Chemical Society (ACS)}}, series = {{The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory}}, title = {{Observation and rovibrational analysis of the intermolecular HCl libration band v(4)(1) in OC-HCl. Modeling of the intermolecular potential energy surface}}, url = {{http://dx.doi.org/10.1021/jp036935u}}, doi = {{10.1021/jp036935u}}, volume = {{108}}, year = {{2004}}, }