C6H5BF2
		Boron
	Nuclear Quadrupole Coupling Constants
		in Phenyldifluoroborane
	Table 1. Boron nqcc's in C6H5BF2 (MHz).     Calc. Expt. [1]     11B Xaa - 2.669 - 2.589(12) Xbb - 0.547 - 0.600(15) Xcc 3.216 3.189(15)   RMS 0.058 (2.7 %) RSD 0.046 (2.1 %)   10B Xaa - 5.534 Xbb - 1.134   Xcc 6.668
	Molecular Structure, ro [2].  A regular benzene structure is assumed with CC = 1.397 Å and CH = 1.084 Å.  Then ro(CB) = 1.551 Å, ro(BF) = 1.330 Å, and ro(FBF) = 116o.
	[1] K.Vormann and H.Dreizler, Z.Naturforsch. 44a,84(1989).
	[2] D.Christen, D.G.Lister, and J.Sheridan, J.Chem.Soc. Faraday Trans. 70,1953(1974).
	CH3BF2		HCCBF2		BF2Cl		BF2NH2
	BF3		BH3		BHF2
	Table of Contents
	Molecules/Boron
						C6H5BF2.html
						Last Modified 30 Oct 2008