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Gas-phase infrared and ab initio study of the unstable CF3CNO molecule and its stable furoxan ring dimer
- Source :
- Journal of Physical Chemistry A. May 5, 2005, Vol. 109 Issue 17, p3864, 11 p.
- Publication Year :
- 2005
-
Abstract
- The unstable trifluoroacetonitrile N-oxide molecule, CF3CNO, is generated in high yield in the gas phase from CF3BrC=NOH and studied by gas-phase mid-infrared spectroscopy. The CCN bending potential in CF3CNO is explored at the CCSD(T)(fc)/cc-pVT level, with results suggesting that CF3CNO exhibits strong quasi-symmetric top behavior with a barrier to linearity of 174 cm(super -1).
Details
- Language :
- English
- ISSN :
- 10895639
- Volume :
- 109
- Issue :
- 17
- Database :
- Gale General OneFile
- Journal :
- Journal of Physical Chemistry A
- Publication Type :
- Academic Journal
- Accession number :
- edsgcl.133150403