Journal of Physical Chemistry A, Vol.109, No.33, 7402-7404, 2005
CH center dot center dot center dot O and CH center dot center dot center dot F links form the cage structure of dioxane-trifluoromethane
The molecular beam Fourier transform microwave spectrum of 1,4-dioxane-trifluoromediane has been assigned and measured. The two subunits form a cage stabilized by one C-H center dot center dot center dot O and two C-H center dot center dot center dot F weak hydrogen bonds. The C-H center dot center dot center dot O link involves the axial lone pair of one of the two equivalent ring oxygens, while the two C-H center dot center dot center dot F bridges connect trifluoromediane to the two axial hydrogens in positions 3 and 5. The dissociation energy has been estimated from the D-J centrifugal distortion parameter to be similar to 6.8 kJ/mol.