Determination of the molecular structure of difluorophosphine sulphide by the combined analysis of data from electron diffraction, microwave spectroscopy, and liquid crystal nuclear magnetic resonance spectroscopy

Abstract

Data relating to the molecular structure of difluorophosphine sulphide, PF₂HS, obtained by gas-phase electron diffraction (e.d.), microwave spectroscopy (m.w.), and by n.m.r. spectroscopy for a solution in a liquid crystal solvent (l.c.n.m.r.) have been analysed. Results are presented and compared for refinements using e.d. data only, m.w. only, e.d. plus m.w., e.d. plus l.c.n.m.r., and finally with all the data analysed simultaneously. In this last refinement the parameters (r_α⁰) obtained were: r(P–F) 154.6(2), r(PS) 187.5(3), r(P–H) 141.9(13) pm; FPF 99.1(1), FPS 117.2(2), and HPS 116.4(6)°.