BH2OH						PDF
		Boron
	Nuclear Quadrupole Coupling Constants
		in Borinic Acid
	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.
	Table 1.  Boron nqcc's in BH2OH (MHz).     Calc. Expt. [1]     11B Xaa - 1.497 - 1.1(7) Xbb - 2.691 - 2.8(4) Xcc 4.188 3.9(4) |Xab| 0.156   Xxx - 1.477 Xyy 4.188 Xzz - 2.711 Øx,a 7.3 Øa,BO 3.6 Øx,BO 3.7   10B Xaa - 3.105 - 2.2(8) Xbb - 5.580 - 5.5(5) Xcc 8.686 7.9(5) |Xab| 0.326
	Table 3. Molecular structure parameters, ro [1] (Å and degrees). BO 1.352 OH 0.967 BHt 1.2 (assumed) BHc 1.2 (assumed) BOH 112.0 HcBO 121.8 HtBO 117.2
	[1] Y.Kawashima, H.Takeo, and C.Matsumura, J.Chem.Phys. 74,5430(1981).
	BHF(OH)		BH(OH)2		BF2OH
	Table of Contents
	Molecules/Boron
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						Last Modified 31 Oct 2008