BF3
		Boron
	Nuclear Quadrupole Coupling Constants
		in Trifluoroborane
	Calculation of the boron nqcc's in trifluoroborane was made on the gas electron diffraction structure of Gershikov et al. [1], and on the IR equilibrium structure of Yamamoto et al. [2].
	Table 1. Boron nqcc's in BF3 (MHz).     Calc. [a] on GED structure. Calc. [b] on IR structure.   Calc. [a] Calc. [b]     11B Xzz 2.720 2.717   10B Xzz 5.640 5.635
	Casabella and Oja [3] report a coupling constant of 2.64 MHz for 11B in solid BF3.
	Molecular Structure			ralpha(BF) = 1.3117 Å [1]
				re(BF) = 1.3070 Å [2]
	[1] G.Gershikov, V.P.Spiridonov, and E.Z.Zasorin, J.Mol.Struct. 99,1 (1983).
	[2] S.Yamamoto, R.Kuwabara, M.Takami, and K.Kuchitsu, J.Mol. Spectrosc. 115,333(1986).
	[3] P.A.Casabella and T.Oja, J.Chem.Phys. 50,4814(1969).
	BH3		BCl3		BH2F		BH2Cl
	BHF2		BHCl2		BF2Cl		BFCl2
	Table of Contents
	Molecules/Boron
	Summary/Boranes   Boron nqcc's in the fluorochloroboranes.
						BH3.html
						Last Modified 28 Oct 2008