(CH3)3NBH3
		Boron and Nitrogen
	Nuclear Quadrupole Coupling Constants
		in Trimethylamine Borane
	Table 1. Boron and Nitrogen nqcc's in (CH3)3NBH3 (MHz).     Calc. Expt. [1]     11B Xzz 2.245 2.064(33)   10B Xzz 4.656   14N Xzz - 2.823 - 2.832(15)
	The difference between calculated and experimental 11B nqcc's is 0.181 MHz (8.8 %).  For 14N, calculated and experimental nqcc's agree to within the uncertainty in the experimental value.
	Calculations were made on the rs structure given in Table 2, incorporating for the methyls the parameters given by Wollrab and Laurie [2] for trimethylamine.
	Table 2. Structure parameters, rs [3,4] (Å and degrees).   BN 1.638 [3] CN 1.483 [3] CNB 109.9 [3] BH 1.211 [4] NBH 105.32 [4]
	[1] W.Kasten, H.Dreizler, and R.L.Kuczkowski, Z.Naturforsch. 40a,1262(1985).
	[2] J.E.Wollrab and V.W.Laurie, J.Chem.Phys. 51,1580(1969).
	[3] P.Cassoux, R.L.Kuczkowski, P.S.Bryan, and R.C.Taylor, Inorg. Chem. 14,126(1975).
	[4] J.R.Durig, Y.S.Li, and J.D.Odom, J.Mol.Struct. 16,443(1973).
	(CH3)3N		BH3NH3		F3PBH3		BH3CO
	Table of Contents
	Molecules/Boron
	Molecules/Nitrogen
						CH33NBH3.html
						Last Modified 28 Oct 2008