Observation and rovibrational analysis of the intermolecular HCl libration band v(4)(1) in OC-HCl. Modeling of the intermolecular potential energy surface
Author
Summary, in English
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.
Department/s
Publishing year
2004
Language
English
Pages
1524-1530
Publication/Series
The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory
Volume
108
Issue
9
Document type
Journal article
Publisher
The American Chemical Society (ACS)
Topic
- Atom and Molecular Physics and Optics
Status
Published
ISBN/ISSN/Other
- ISSN: 1520-5215