AlSH
		Aluminum
	Nuclear Quadrupole Coupling Constants
		in Aluminum Hydrosulfide
	Table 1. 27Al nqcc's in AlSH (MHz).  Calculation was made on the ro structure [1].     Calc (1):  HF/TZV(2d) model. Calc (2):  HF/aug-cc-pCVDZ/aug-cc-pVDZ model.   Calc (1) Calc (2) Expt. [2]     Xaa - 34.08 - 34.06 - 33.7295(47) Xbb 19.62 19.65 Xcc 14.46 14.41 |Xab|   1.93   1.92   Xxx 19.69 19.72 Xyy 14.46 14.41 Xzz - 34.15 - 34.13 ETA - 0.153 - 0.155 Øz,a 2.06 2.04 Øa,SAl 1.05 1.05 Øz,SAl 1.00 0.99
	Molecular Structure, ro [1]				AlS = 2.240(6) Å
					SH  = 1.36(4) Å
					AlSH = 88.5o
	[1] A.Janczyk and L.M.Ziurys, Ap.J. 639, L107(2006).
	[2] M.Fukushima and M.C.L.Gerry, J.Mol.Spectrosc. 262,11(2010).
	AlH		AlF		AlCl		AlBr
	Table of Contents
	Molecules/Aluminum
						AlSH.html
						Last Modified 15 April 2010