C6H5BCl2
		Boron and Chlorine
	Nuclear Quadrupole Coupling Constants
		in Phenyldichloroborane
	Table 1. Boron nqcc's in C6H5B35Cl2 (MHz).  Calculation was made on partial ro structure of Caminati and Lister [1].     Calc. Expt.     11B Xaa - 2.718 Xbb - 0.408 Xcc 3.126   10B Xaa - 5.637 Xbb - 0.846   Xcc 6.483
	Table 2. Chlorine nqcc's in C6H511B35Cl2 (MHz).  Calculation was made on partial ro structure of Caminati and Lister [1].     Calc. Expt.     35Cl Xaa 16.84 Xbb - 25.52 Xcc   8.68   |Xab| 28.94 Xxx 31.53 Xyy   8.68   Xzz - 40.21   ETA 0.568 Øz,a 63.10 Øa,BCl 60.90 Øz,BCl   2.20
	Table 3. Chlorine nqcc's in C6H511B35Cl37Cl (MHz).  Calculation was made on partial ro structure of Caminati and Lister [1].     Calc. Expt.     35Cl Xaa 17.71 Xbb - 26.39 Xcc   8.68   |Xab| 28.29 37Cl Xaa 12.57 Xbb - 19.41   Xcc   6.84   |Xab| 23.31
	Table 4. Chlorine nqcc's in C6H511B37Cl2 (MHz).  Calculation was made on partial ro structure of Caminati and Lister [1].     Calc. Expt.     37Cl Xaa 13.27 Xbb - 20.11 Xcc   6.84   |Xab| 22.81
	Molecular Structure, ro [1].  A regular benzene structure is assumed with CC = 1.397 Å and CH = 1.084 Å.  Then ro(CB) = 1.556(14) Å, ro(BCl) = 1.760(8) Å, and ro(ClBCl) = 121.8(4)o.
	[1] W.Caminati and D.G.Lister, J.Chem.Soc. Faraday Trans. 2, 74,896(1978).
	BHCl2		C6H5BF2
	Table of Contents
	Molecules/Boron
	Molecules/Chlorine
						C6H5BCl2.html
						Last Modified 30 May 2014