ClBS
		Boron, Sulfur, and Chlorine
	Nuclear Quadrupole Coupling Constants
		in Chlorothioborine
	Table 1. Boron, Sulfur, and Chlorine nqcc's in ClBS (MHz).     Calculation was made on the equilibrium molecular structures of McNaughton and Tay-Lin [2], and Bizzocchi, et al. [3].   Calc. [2] Calc. [3] Expt. [1]     11B Xzz - 2.343 - 2.356   10B Xzz - 4.859 - 4.886   33S Xzz - 1.78 * - 2.13 * - 1.82 ** - 2.17 **   35Cl Xzz - 42.53 - 42.15 - 42.54(1)   37Cl Xzz - 33.52 - 33.22 - 33.53(1)
	* B3LYP/6-311G(3df,3p)				** B3LYP/TZV+(3df,3p)
	Table 2. Structure parameters (Å).   re [2] re [3]   ClB 1.6842 1.6806 BS 1.6014 1.6049
	[1] C.Kirby and H.W.Kroto, J.Mol.Spectrosc. 83,130(1980).
	[2] D.McNaughton and R.Tay-Lin, J.Mol.Spectrosc. 202,89(2000).
	[3] L.Bizzocchi, C.Delgi Esposti, and C.Puzzarini, J.Mol.Spectrosc. 216,177 (2002).
	HBO		FBO		ClBO		BrBO
	HBS		FBS		BrBS		CH3BS
	Table of Contents
	Molecules/Boron
	Molecules/Sulfur
	Molecules/Chlorine
						ClBS.html
						Last Modified 28 Oct 2008