SiF3D
		Deuterium
	Nuclear Quadrupole Coupling Constants
		in Trifluorosilane
	Calculation of the deuterium nqcc in trifluorosilane was amdeon the equilibrium molecular structures of Demaison et al. [1] and Hoy et al. [2].  The calculated nqcc's are given in Table 1, structure parameters in Table 2.
	Table 1. Deuterium nqcc in SiF3D (MHz).     Calc / Ref   Reference is for the structure on which calculation was made.   Calc / Ref Expt.     2H Xzz 102.6 / [1]   103.5 / [2]
	Table 2.  SiF3H Structure parameters (Å and degrees).     re [1]   re [2] HSi 1.44872(3) 1.4468(5) SiF 1.56266(1) 1.5624(1) HSiF 110.6884(4) 110.64(3)
	[1] J.Demaison, L.Margulès, J.Breidung, W.Thiel, and H.Bürger, Mol.Phys. 97,1053(1999).
	[2] A.R.Hoy, M.Bertram, and I.M.Mills, J.Mol.Spectrosc. 46,429(1973).
	CF3D
	Table of Contents
	Molecules/Deuterium
						SiF3H.html
						Last Modified 6 Feb 2009