GaI
		Iodine
	Nuclear Quadrupole Coupling Constants
		in Gallium Monoiodide
	Table 1.   Iodine nqcc's in GaI (MHz).  Calc = B1LYP/6-311G(df,p).  Calculation  was made on re [2] structure.   Calc. Expt. [1]     127I eQqo - 344.0 - 369.35(10)
	Table 2.   Gallium nqcc's in GaI (MHz).  Calc = HF/TZV(2d).  Calculation  was made on re [2] structure.   Calc. Expt. [1]     69Ga eQqo - 83.78 - 81.29(25)   71Ga eQqo - 52.80
	Bond Length, re = 2.574689(31) Å [2]
	[1] K.P.R.Nair and J.Hoeft, J.Mol.Spect. 85,301(1981).
	[2] F.J.Lovas and E.Tiemann, J.Phys.Chem.Ref.Data 3,609(1974).
	AlI		GaF		GaCl		GaBr
	Table of Contents
	Molecules/Iodine
	Molecules/Gallium
						GaI.html
						Last Modified 22 Sept 2009