CH3BBr2
		Boron and Bromine
	Nuclear Quadrupole Coupling Constants
		in Dibromomethylborane
	In Tables 1 and 2, 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.  ETA = (Xxx - Xyy)/Xzz.  Ø (degrees) is the angle between its subscripted parameters.
	Table 1. Boron nqcc's in CH3B79Br2 (MHz).  Calculation was made on zero-pint average structure of Ref. [1].     Calc. Expt.     11B Xaa - 0.448 Xbb - 2.903 Xcc 3.352 |Xbc| 0.008
	Table 2.  79Br nqcc's in CH311B79Br2 (MHz).  Calculation was made on zero-pint average structure of Ref. [1].     Calc. Expt.     79Br Xaa 178.62 Xbb - 111.36 Xcc - 67.26 Xab ± 246.66 Xac ± 0.31 Xbc - 5.53   Xxx - 252.62 Xyy - 67.14 Xzz 319.77 ETA - 0.580 Øz,BCl 1.4
	Table 3. Molecular structure parameters, zero-point average [1] (Å and degrees).   CH 1.098(9) CB 1.569(7) BBr 1.908(3) HCH 109.2(5) BrBBr 117.8(2)
	[1] A.P.Cox, S.D.Hubbard, and S.Waterfield, J.Mol.Spectrosc. 118,459(1986).
	CH3BF2		CH3BCl2
	Table of Contents
	Molecules/Boron
	Molecules/Bromine
						CH3BBr2.html
						Last Modified 15 Sept 2015