AlC2
		Aluminum
	Nuclear Quadrupole Coupling Constants
		in Aluminum Dicarbide Radical
	Table 1. 27Al nqcc's in AlC2 radical (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. [1]     Xaa - 33.03 - 33.65 - 32.74(60) Xbb 18.00 18.73 Xcc 15.03 14.93
	Molecular Structure, ro [1]				Al-C = 1.924 Å
					C-Al-C = 38.2o
	[1] D.T.Halfen and L.M.Ziurys, PCCP 20,11047(2018).
	AlH		AlF		AlCl		AlBr
	Table of Contents
	Molecules/Aluminum
						AlC2.html
						Last Modified 16 March 2018