AlBr
		Aluminum and Bromine
	Nuclear Quadrupole Coupling Constants
		in Aluminum Monobromide
	Table 1. Aluminum and Bromine nqcc's in AlBr (MHz).     Calc. Expt.     27Al eQqo - 27.97 * - 28.0059(34) [1]   - 28.20 ** - 29.90(50) [2]   79Br eQqo 76.84 78.7064(14) [1] 78.78(20) [2]   81Br eQqo 64.20 65.7476(15) [1]
	* HF/TZV(2d) model.
	** HF/aug-cc-pCVDZ/aug-cc-pVDZ model.
	The difference between calculated and experimental 79Br nqcc's is 1.87 MHz (2.4 %).   For 81Br, the difference is 1.55 MHz (2.4 %).
	Bond Length, re = 2.294833 Å [3]
	[1] K.Walker and M.C.L.Gerry, J.Mol. Spectrosc. 193,224(1999).
	[2] J.Hoeft, T.Törring, and E.Tiemann, Z.Naturforsch. 28a,1066(1973).
	[3] F.J.Lovas and E.Tiemann, J.Phys.Chem.Ref.Data 3,609(1974).
	F.C.Wyse and W.Gordy, J.Chem.Phys. 56,2130(1972):  re = 2.29480(3) Å.
	AlF		AlCl		AlH		GaBr
	AlNC		AlCN		BBr
	Table of Contents
	Molecules/Aluminum
	Molecules/Bromine
						AlBr.html
						Last Modified 10 Dec 2004