BF2NH2
		Boron and Nitrogen
	Nuclear Quadrupole Coupling Constants
		in Aminodifluoroborane
	In Tables 1 and 2, 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 1. Boron nqcc's in BF2NH2 (MHz).     Calc. Expt. [1]     11B Xaa - 1.878 - 1.971(6) Xbb - 0.549 - 0.500(11) Xcc 2.428 2.471(11)   RMS 0.066 (4.0 %) RSD 0.046 (2.1 %)   10B Xaa - 3.900 Xbb - 1.140   Xcc 5.040
	Table 2. Nitrogen nqcc's in BF2NH2 (MHz).     Calc. Expt. [1]     14N Xaa 0.946 0.890(5) Xbb 2.438 2.303(7) Xcc - 3.383 - 3.193(7)   RMS 0.138 (6.5 %) RSD 0.030 (1.3 %)
	Table 3. Moleculat structure parameters, rs [2] (Å and degrees). BN 1.402 BF 1.325 NH 1.0029 FBF 117.9 HNH 116.94
	[1] K.Vormann and H.Dreizler, Z.Naturforsch. 46a,909(1991).
	[2] F.J.Lovas and D.R.Johnson, J.Chem.Phys. 59,2347(1973).
	BH2NH2		BF3		BF2H		BF2Cl
	Table of Contents
	Molecules/Boron
	Molecules/Nitrogen
						BF2NH2.html
						Last Modified 24 May 2003