SiF3Br
		Bromine
	Nuclear Quadrupole Coupling Constants
		in Bromotrifluorosilane
	Table 1. Bromine nqcc's in SiF3Br (MHz).     Calc. Expt. [1]     79Br Xzz 353.46 344.0(1)   81Br Xzz 295.31 287.4(1)
	The difference between calculated and experimental 79Br nqcc's is 9.46 MHz (2.8 %).  For 81Br, the difference is 8.21 MHz (2.8 %).
	Table 2. Structure parameters, rz [1] (Å and degrees). SiBr 2.1559 SiF 1.5591 FSiBr 110.38
	On a structure with the rz parameters for the SiF3 geometry, but with rs(SiBr) = 2.1477 Å [1], the calculated nqcc for 79Br is 349.20 MHz.  The difference between this and the experimental value is 5.20 MHz (1.5 %).
	[1] A.P.Cox, I.C.Ewart, and T.R.Gayton, J.Mol.Spectrosc. 125,76(1987).
	SiH3Br		CH3Br		GeH3Br		SiH3Cl
	CF3Br		CH3Cl		CF3Cl		SiF3Cl
	Table of Contents
	Molecules/Bromine
						SiF3Br.html
						Last Modified 2 June 2003