The microwave spectrum of methyl isocyanate |
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| Institution: | 1. Department of Chemistry, Payame Noor University, Tehran 19395-4697, Iran;2. Department of Chemistry, Yasouj University, Yasouj 7518-74831, Iran;1. Department of Environmental Analysis, Faculty of Chemistry, University of Gdańsk, ul. Wita Stwosza 63, PL-80-308 Gdańsk, Poland;2. BAM Federal Institute for Materials Research and Testing, Unter den Eichen 87, 12205, Berlin, Germany;3. Department of Organic Chemistry, Faculty of Chemistry, University of Gdańsk, ul. Wita Stwosza 63, PL-80-308 Gdańsk, Poland |
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| Abstract: | The microwave spectrum of methyl isocyanate, CH3NCO, has been measured in the range from 8 to 40 GHz. More than 200 lines have been assigned to the a-type J + 1 ← J rotational transitions (J = 0 to 3) 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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