title: Geometry and microwave rotational spectrum of the FC16O18O• radical.
abstract: The rotational spectrum of an asymmetrically substituted isotopologue of the fluoroformyloxyl radical FC(16)O(18)O(•) 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 FC(16)O2(•) and FC(18)O2(•) 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.
authors.affiliation: Department of Analytical Chemistry, Institute of Chemical Technology , Technická 5, 166 28, Prague 6, Czech Republic.
authors.forename: Jan
authors.initials: J
authors.lastname: Koucký
authors.forename: Patrik
authors.initials: P
authors.lastname: Kania
authors.forename: Tereza
authors.initials: T
authors.lastname: Uhlíková
authors.forename: Lucie
authors.initials: L
authors.lastname: Kolesniková
authors.forename: Helmut
authors.initials: H
authors.lastname: Beckers
authors.forename: Helge
authors.initials: H
authors.lastname: Willner
authors.forename: Stěpán
authors.initials: S
authors.lastname: Urban