Effects of Fluorine Substitution on the Microsolvation of Aromatic Azines: The Microwave Spectrum of 3-Fluoropyridine-Water

The rotational spectra of the parent species and of four water isotopologues (-DOH, -HOD, -DOD, and -(HOH)-O-18) of the adduct 3-fluoropyridine-water have been investigated using pulsed supersonic-jet Fourier-transform microwave spectroscopy. From the rotational constants, the structure of the adduct was deduced where the water is linked to the aromatic ring through an intermolecular O-H center dot center dot center dot N hydrogen bond with a bond distance of 1.9961(5) angstrom and an O-H center dot center dot center dot N angle of 156.8(1)degrees. The shape of the complex is such that the water oxygen is in the plane of the aromatic ring, on the opposite side of fluorine, and forming a C-H center dot center dot center dot N weak hydrogen bond with the adjacent aromatic hydrogen.