CH3OBH2			PDF
		Boron
	Nuclear Quadrupole Coupling Constants
		in Methoxyborane
	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.
	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.  Boron nqcc's in CH3OBH2 (MHz).     Calc. Expt. [1]     11B Xaa - 1.788 - 1.90(24) Xbb - 2.226 - 1.91(24) Xcc 4.013 3.81(22) |Xab| 0.682   RMS 0.22 (8.9 %) RSD 0.046 (2.1 %)   Xxx - 1.291 Xyy 4.013 Xzz - 2.723 Øx,a 36.10 Øa,BO 31.56 Øx,BO   4.54   10B Xaa - 3.732 Xbb - 4.591 Xcc 8.323 |Xab| 1.421
	Molecular Structure, ro [1].
	[1] Y.Kawashima, H.Takeo, and C.Matsumura, J.Mol.Spectrosc. 116,23(1986).
	BH2OH		BH(OH)2		BF2OH
	Table of Contents
	Molecules/Boron
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						Last Modified 31 Oct 2008