B2H5NH2
		Boron and Nitrogen
	Nuclear Quadrupole Coupling Constants
		in Aminodiborane
	Table 1. Boron nqcc's in B2H5NH2 (MHz).     Calc. Expt.     11B * Xaa 0.803 Xbb 1.374 Xcc - 2.178 Xab ± 0.531   10B ** Xaa 1.666 Xbb 2.850   Xcc - 4.516 Xab ± 1.102
	* 11B2H5NH2		** 10B2H5NH2
	In Table 2 below, 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 2. Nitrogen nqcc's in B2H5NH2 (MHz).     Calc. Expt. [1]     14N Xaa - 2.604 - 2.71(3) Xbb 1.083 0.84(5) Xcc 1.522 1.87(8)   RMS 0.25 (14 %) RSD 0.030 (1.3 %)
	Table 3. Molecular structure parameters, rs [1] (Å and degrees). NH 1.005 HNH 111.0 B ... B 1.916 BN 1.558 BHb 1.355 BHt 1.193 BNB 75.9 BHbB 90.0 HtBHt 121.0
	[1] K-K.Lau, A.B.Burg, and R.A.Beaudet, Inorg.Chem. 13,2787(1974).
	Diborane		B2H5Cl		B2H5Br
	Table of Contents
	Molecules/Boron
	Molecules/Nitrogen
						B2H5NH2.html
						Last Modified 30 Oct 2008