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Journal of Physical Chemistry A, Vol.117, No.39, 10138-10143, 2013
Geometry and Microwave Rotational Spectrum of the (FCOO center dot)-O-16-O-18 Radical
The rotational spectrum of an asymmetrically substituted isotopologue of the fluoroformyloxyl radical (FCOO center dot)-O-16-O-18 with resolved fine and hyperfine structures were measured and analyzed for the very first time The molecular parameters of this radical obtained from the spectral analysis were processed along with the symmetrical isotopologues (FCO2 center dot)-O-16 and (FCO2 center dot)-O-18 and accurate substitution geometry was attained. In addition to those, coupled cluster quantum chemistry calculations were Used to scale the experimental parameters, and in this manner, trustworthy values of the equilibrium and ground state geometries were derived.