SPF3
		Sulfur
	Nuclear Quadrupole Coupling Constants
		in Trifluorophosphine Sulfide
	Table 1. 33S nqcc's in SPF3 (MHz).     Calc. [a] B3LYP/6-311G(3df,3p) model. Calc. [b] B3LYP/TZV+(3df,3p) model.    Calc. [a]  Calc. [b] Expt / Ref     Xzz - 29.26 - 29.45 - 29.924(10)  [1] - 28.75(40) [2]
	Table 2. Structure parameters, ro [2] (Å and degrees). SP 1.849 PF 1.538 FPF 98.5
	[1] E.R.Bittner, J.Matos, K.W.Hillig II, and R.Kuczkowski, Z.Naturforsch. 42a,1415(1987).
	[2] J.G.Smith and I.Thompson, Mol.Phys. 32,1247(1976).
	SPCl3		OPF3		OPCl3
	Table of Contents
	Molecules/Sulfur
						SPF3.html
						Last Modified 26 Sept 2004