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Observation and rovibrational analysis of the intermolecular HCl libration band v(4)(1) in OC-HCl. Modeling of the intermolecular potential energy surface

In English

Författare

  • René Wugt Larsen
  • F Hegelund
  • Bengt Nelander

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.

Publiceringsår

2004

Språk

Engelska

Sidor

1524-1530

Publikation/Tidskrift/Serie

The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory

Volym

108

Issue

9

Dokumenttyp

Artikel i tidskrift

Förlag

The American Chemical Society (ACS)

Ämne

  • Atom and Molecular Physics and Optics

Status

Published

ISBN/ISSN/Övrigt

  • ISSN: 1520-5215