Weak C–H⋯N and C–H⋯F hydrogen bonds and internal rotation in pyridine–CH3F

Abstract

The pulsed-jet Fourier transform rotational spectra of 4 isotopologues have been recorded for the most stable conformation of the molecular cluster pyridine–CH₃F. Two weak C–H⋯N and C–H⋯F hydrogen bonds link the two subunits of the complex. Structural information on the hydrogen bridges has been obtained. The internal rotation of the CH₃F subunit around its symmetry axis splits all rotational transitions into two (A and E) well resolved component lines, leading to a V₃ barrier height of 1.55(1) kJ mol⁻¹.