NCCN
		Nitrogen
	Nuclear Quadrupole Coupling Constants
		in Dicyanogen
	Table 1. Nitrogen nqcc's in NCCN (MHz).     Calc / Ref   Reference is for the molecular structure on which calculation was made (see below).   Calc / Ref Expt.     14N Xzz - 4.703 [1] - 4.689 [2] - 4.714 [3]
	Molecular Structure, re [1]				NC = 1.1578 Å
					CC  = 1.3839 Å
	Molecular Structure, re [2]				NC = 1.157976(40) Å
					CC = 1.38109(60) Å
	Molecular Structure, rs [3]				NC = 1.1566(13) Å
					CC  = 1.3848(17) Å
	Molecular Structure, ro [4]				NC = 1.16(1) Å
					CC  = 1.38(2) Å
	[1] P.Botschwina and J.Flügge, Chem.Phys.Lett. 180,589(1991).
	[2] A.G.Maki, J.Mol.Spectrosc. 269,166(2011).
	[3] J.C.Grecu, B.P.Winnewisser, and M.Winnewisser, J.Mol.Spectrosc. 218,246(2003).
	[4] H.G.M.Edwards and H.R.Mansour, J.Mol.Struct. 160,209(1987).
	NCCP		NCCNO		HNCCN+		CNCN
	Table of Contents
	Molecules/Nitrogen
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						Last Modified 4 July 2011