High resolution microwave spectroscopy and structure of the weakly bound Xe…OCS complex

Obenchain, Daniel A.

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https://hdl.handle.net/2142/100441 Copy

Description

Title

High resolution microwave spectroscopy and structure of the weakly bound Xe…OCS complex

Author(s)

Obenchain, Daniel A.

Contributor(s)

• Grabow, Jens-Uwe
• Wachsmuth, Dennis
• Kraus, Peter
• Herbers, Sven

Issue Date

2018-06-21

Keyword(s)

Clusters/Complexes

Abstract

The rotational spectrum of the weakly bound complex between xenon and carbonyl sulfide has been measured using a coaxially oriented beam resonator arrangement (COBRA) Fourier transform microwave spectrometer in Hannover. There are nine naturally occurring isotopes of xenon in addition to the many possible isotopologues of carbonyl sulfide, which allows for a detailed analysis of the structure of the van der Waals complex and subsequent comparisons to other rare gas van der Waals complexes with carbonyl sulfide that have already been reported. Of the nine isotopes of xenon, two have non-zero nuclear spins, 131Xe (I=3/2) and 129Xe (I=1/2). In the case of the 131Xe, a hyperfine structure was observed in all transitions, revealing a non-zero field gradient at the xenon nucleus in the complex. High-level ab initio calculations were carried out to identify an accurate method for the prediction of the structure of the complex and the nuclear quadrupole coupling constants of 131Xe. The van der Waals interaction energies of xenon and carbonyl sulfide will be discussed.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

eng

Permalink

http://hdl.handle.net/2142/100441

DOI

10.15278/isms.2018.RK03

Copyright and License Information

Copyright 2018 Daniel A. Obenchain

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