CN-
		Nitrogen
	Nuclear Quadrupole Coupling Constants
		in Cyanide Anion
	Table 1. Nitrogen nqcc's in CN- (MHz).   Calc. Expt. [1]     14N eQq - 4.236 - 4.238(32)
	Bond length, re = 1.177(4) Å [2].
	[1] C.A.Gottlieb, S.Brünken, M.C.McCarthy, and P.Thaddeus, J.Chem.Phys. 136,191101(2007).
	[2] S.E.Bradforth, E.H.Kim, D.W.Arnold, and D.M.Neumark, J.Chem.Phys. 98,800(1993).
	P.R.Taylor, G.B.Bacskay, N.S.Hush, and A.C.Hurley, J.Chem.Phys. 70,4481(1979).  re = 1.173(2) Å, which gives calculated eQq = -4.259 MHz.
	"Multireference CI calculation of nuclear quadrupole coupling constants of CN+ and CN- : rovibrational dependence"  R.Polák and J.Fišer. Spectrochim. Acta A 58,2029(2002).
	NaCN		KCN
	Table of Contents
	Molecules/Nitrogen
						CNanion.html
						Last Modified 5 Dec 2007