BH2NH2
		Boron and Nitrogen
	Nuclear Quadrupole Coupling Constants
		in Aminoborane
	In Tables 1 and 2, RMS is the root mean 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 BH2NH2 (MHz).     Calc. Expt. [1]     11B Xaa - 1.612 - 1.684(14) Xbb - 2.249 - 2.212(11) Xcc 3.861 3.896(11)   RMS 0.051 (2.0 %) RSD 0.046 (2.1 %)   10B Xaa - 3.343 - 3.481(11) Xbb - 4.664 - 4.623(14)   Xcc 8.007 8.104(14)   RMS 0.096 (1.8 %) RSD 0.102 (2.1 %)
	Table 2. Nitrogen nqcc's in BH2NH2 (MHz).     Calc. Expt. [1]     14N Xaa 0.129 0.095(9) Xbb 2.107 2.091(8) Xcc - 2.236 - 2.186(8)   RMS 0.036 (2.4 %) RSD 0.030 (1.3 %)
	Table 3. Molecular structure parameters, rs [2] (Å and degrees). BN 1.391 BH 1.195 NH 1.004 HBH 122.2 HNH 114.2
	[1] K.Vormann, H.Dreizler, J.Doose, and A.Guarnieri, Z.Naturforsch. 46a,770(1991).
	[2] M.Sugie, H.Takeo, and C.Matsumura, J.Mol.Spectrosc. 123,286 (1987).
	BF2NH2		BH3		BH2F		BH2Cl
	Table of Contents
	Molecules/Boron
	Molecules/Nitrogen
						BH2NH2.html
						Last Modified 26 Oct 2008