Chlorofluoroboranes
		Boron
	Nuclear Quadrupole Coupling Constants
		in the Chlorofluoroboranes
	11B nqcc's calculated on the experimental molecular structures of chlorine and/or fluorine substituted boranes are given in Table 1.  Molecular structures (planar) are compared in Table 2.
	Table 1. 11B nqcc's in the principal axes of the nqcc tensor (MHz).   ETA = (Xxx - Xyy)/Xzz   Molecule    Xzz    Xyy    Xxx  ETA   BH3 5.933 -2.966 -2.966 0   BH2F 4.472 -3.315 -1.157 0.4826   BHF2 3.463 -2.591 -0.872 0.4964   BF3 2.717 -1.358 -1.358 0   BF2Cl 2.665 -1.351 -1.314 0.0101   BFCl2   BCl3 2.543 -1.272 -1.272 0   BHCl2 3.519 -2.838 -0.681 0.6130   BH2Cl 4.636 -3.631 -1.005 0.5664   BH3 5.933 -2.966 -2.966 0
	Table 2. Molecular structures of the fluorochloroboranes (Å and degrees).     Structure type and reference are given in last column.   Molecule BH BF BCl XBX Ref.   BH3 1.19001 ro(IR) [1]   BH2F 1.1973 1.3157 124.57 rs [2]   BHF2 1.195 1.315 118.0 rz [3]   BF3 1.3070 re(IR) [4]   BF2Cl 1.315 1.728 118.1 ro [5]   BFCl2   BCl3 1.7399 r(GED) [6]   BHCl2 1.184 1.735 120.4 rs [7]   BH2Cl 1.1834 1.7337 124.04 re [8]   BH3 1.19001 ro(IR) [1]
	[1] K.Kawaguchi, J.Chem.Phys. 96,3411(1992).
	[2] H.Takeo, M.Sugie, and C.Matsumura, J.Mol.Spectrosc. 158,201 (1993).
	[3] A.G.Robiette and M.C.L.Gerry, J.Mol.Spectrosc. 80,403(1980).
	[4] S.Yamamoto, R.Kuwabara, M.Takami, and K.Kuchitsu, J.Mol. Spectrosc. 115,333(1986).
	[5] H.W.Kroto and M.Maier, J.Mol.Spectrosc. 99,820(1993).
	[6] A.G.Gershikov, V.P.Spiridonov, and E.Z.Zasorin, J.Mol. Struct. 99,1 (1983).
	[7] M.Sugie, H.Takeo, and C.Matsumura, Spectrochimica Acta 50A,1379(1994).
	[8] M.Oswald, J.Flügge, and P.Botschwina, J.Mol.Struct. 320,227 (1994).
	BH3			BH2F			BHF2
	BF3			BF2Cl			BFCl2
	BCl3			BH2Cl			BHCl2
	Table of Contents
	Molecules/Boron
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