AlNC
		Aluminum and Nitrogen
	Nuclear Quadrupole Coupling Constants
		in Aluminum Isocyanide
	Table 1. Aluminum and Nitrogen nqcc's in AlNC (MHz).     Calc. Expt. [1]     27Al Xzz - 35.90 * - 35.6268(16) - 35.66 **   14N Xzz - 2.188 - 2.1508(19)
	* HF/TZV(2d) model.
	** HF/aug-cc-pCVDZ/aug-cc-pVDZ model.
	For 14N, the difference between calculated and experimental nqcc's is 37 kHz (1.7 %).
	Molecular Structure, ro [2]				AlN = 1.849 Å
					NC  = 1.171 Å
	[1] K.A.Walker and M.C.L.Gerry, Chem.Phys. Lett. 278,9(1997).
	[2] J.S.Robinson, A.J.Apponi, and L.M.Ziurys, Chem.Phys.Lett. 278,1 (1997).
	AlCN		AlH		AlF		AlCl
	GaNC		LiNC		AlBr
	Table of Contents
	Molecules/Aluminum
	Molecules/Nitrogen
						AlCN.html
						Last Modified 10 Dec 2004