The gas phase structure of trifluoromethylisocyanide CF3NC. An electron diffraction and microwave spectroscopy study
- 1 May 1984
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 80 (9) , 4020-4024
- https://doi.org/10.1063/1.447282
Abstract
The gas phase molecular structure of trifluoromethylisocyanide has been determined by the combined use of electron diffraction and microwave spectroscopy, implementing the results of a normal coordinate analysis. The following geometric parameters (rav values with 2 σ error limits) have been derived: C–F=1.324(1) Å, C–N=1.407(3) Å, N=C=1.171(3) Å, and FCF=108.8(1) °. Furthermore, dipole moment [μ=1.153(20) D] and quadrupole coupling constants [χ=1.06(3) MHz] have been determined.Keywords
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