HCCCNH+
		Nitrogen
	Nuclear Quadrupole Coupling Constants
		in Protonated Cyanoacetylene Cation
	Calculation of the 14N eQq in HCCCNH+ was made on an equilibrium structure derived by Botschwina and Heyl [1].  Calculated and experimental [2] values are compared in Table 1.  Structure parameters are given in Table 2.
	Table 1. 14N nqcc's in HCCCNH+ (MHz).  Calc. Expt. [2]     14N eQq 0.343 0.167(6)
	Table 2.  HCC-CNH+  Molecular structure parameters (Å).    re [1] HC 1.0703 C=C 1.2097 C-C 1.3509 CN 1.1448 NH 1.0079
	[1] P.Botschwina and A.Heyl, Mol.Phys. 97,209(1999).
	[2] G.A.Gottlieb, A.J.Apponi, M.C.McCarthy, and P.Thaddeus, J.Chem.Phys. 113(5),1910(2000).
	HCCCN		HCN		HCNH+		NCCNH+
	Table of Contents
	Molecules/Nitrogen
						HCCCNH+.html
						Last Modified 21 March 2015