The microwave spectrum of methyl isothiocyanate |
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| Institution: | 1. School of Chemistry, University of Leeds, LS2 9JT, United Kingdom;2. Faculty of Chemistry and “Integrated Centre for Environmental Science Studies in the North-East Development Region – CERNESIM”, University “Al. I. Cuza” of Iasi, Romania;3. National Centre for Atmospheric Science, University of Leeds, LS2 9JT, United Kingdom;1. Institute of Physical Chemistry, RWTH Aachen University, Landoltweg 2, D-52074 Aachen, Germany;2. Laboratoire Interuniversitaire des Systèmes Atmosphériques (LISA), UMR 7583 CNRS/IPSL – Universités Paris-Est et Paris Diderot, 61 avenue du Général de Gaulle, F-94010 Créteil cedex, France |
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| Abstract: | The microwave spectrum of methyl isothiocyanate, CH3NCS, has been measured in the range from 5 to 26 GHz. Almost 300 lines have been assigned to the a-type J + 1 ← J rotational transitions (J = 0 to 4) arising from molecules in the ground state and excited torsional and CNC bending states. The observed spectrum has been analyzed and successfully interpreted in terms of the five-dimensional quasi-symmetric top molecule model accounting explicitly for the large-amplitude CNC bending motion, and internal and overall rotation. In the least-squares fitting to the observed transition energies the values of the parameters of the CNC bending-torsional potential function have been determined. |
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