CH3GeH2Br
		Bromine
	Nuclear Quadrupole Coupling Constants
		in Methylgermylbromide
	In Table 1, the subscripts a,b,c refer to the principal axes of the inertia tensor.   Subscripts x,y,z refer to the principal axes of the nqcc tensor.  The nqcc y-axis is chosen coincident with the c-axis.  Ø (degrees) is the angle between its subscripted parameters.  ETA = (Xxx - Xyy)/Xzz.
	RMS is the root measn square difference between calculated and experimental diagonal nqcc.  RSD is the residual standard deviation of the calibration of the computional model for calculation of the nqcc's.
	Table 1. Bromine nqcc's in CH374GeH2Br (MHz).     Calc. Expt. [1]     79Br Xaa 333.4 326.0(154) Xbb - 151.6 - 145.1(227) Xcc - 181.8 - 180.9(227) |Xab| 115.6 103.9   RMS 5.7 (2.6 %) RSD 1.6 (0.39 %)   Xxx - 177.8 Xyy - 181.8 Xzz 359.6 ETA 0.011 Øz,a 12.7 Øa,GeBr 11.9 Øz,GeBr   0.8   81Br Xaa 278.8 273.1(72) Xbb - 126.9 - 124.1(122) Xcc - 151.9 - 149.0(122) |Xab|   96.1   91.5   RMS 4.0 (2.2 %) RSD 1.4 (0.40 %)
	Molecular Structure, ro [1].
	[1] J.R.Durig, J.F.Sullivan, A.B.Mohamad, and S.Cradock, J.Chem.Phys. 84,5796(1986).
	CH3CH2Br		CH3GeH2Cl		GeH3Br
	Table of Contents
	Molecules/Bromine
						CH3GeH2Br.html
						Last Modified 21 Jan 2005