HCCNSi
		Nitrogen
	Nuclear Quadrupole Coupling Constants
		in Silaisocyanoacetylene
	The nitrogen nqcc in HCCNSi was measured by Thorwirth et al. [1], which authors also derived a reemp molecular structure.
	Calculation was made here of the nitrogen nqcc on this structure.  Calculated and experimental nqcc's are compared in Table 1.  Structure parameters are given in Table 2.
	Table 1.  Nitrogen nqcc's in HCCNSi (MHz).   Calc. Expt. [1]   14N eQq 0.883 0.890(2)
	Table 2.  Structure parameters, reemp [1] (Å).   HC 1.0605(1) CC 1.2117(1) CN 1.3049(2) NSi 1.5663(2)
	[1] S.Thorwirth, R.I.Kaiser, K.N.Crabtree, and M.C.McCarthy, Chem.Commun. 51,11305(2015).
	HCCNC		HCCCCNSi		NCNSi
	Table of Contents
	Molecules/Nitrogen
						HCCNSi.html
						Last Modified 3 Oct 2017