(CH3)3CNC
		Nitrogen
	Nuclear Quadrupole Coupling Constants
		in t-Butyl Isocyanide
	Table 1.  14N nqcc's in (CH3)3CNC (MHz).     Structure Calc. Expt. / Ref.     rs (uncorr) Xzz 0.200 0.1563(9)  [1] rs (corr) 0.209 0.165(2)  [2] 0.1591(10)  [3]
	Table 2. Structure parameters, heavy atom rs , uncorrected and corrected for isotopic substitution effects [1] (Å and degrees). Calculation was made on the heavy atom substitution structure, wirh tetrahedral  symmetry for the methyls and CH = 1.090 Å assumed. uncorrected  corrected (H3C)3CNC 1.17019(2) 1.1674(14) (H3C)3CNC 1.42056(6) 1.454(15) (H3C)3CNC 1.53893(6) 1.531(4) (H3C)3CNC 108.680(8) 107.6(5)
	[1] Z.Kisiel, E.Białkowska-Jaworska, O.Desyatnyk, B.A.Pietrewicz, and L.Pszcółkowski, J.Mol.Spectrosc. 208,113(2001).
	[2] N.W.Howard, A.C.Legon, C.A.Rego, and A.L.Wallwork, J.Mol. Struct. 197,181(1989).
	[3] W.Kasten, H.Dreizler, and U.Andersen, Z.Naturforsch. 41a,1302(1986).
	CH3NC		HCCNC		HNC
	CF3NC		C6H5NC		CNCN
	Table of Contents
	Molecules/Nitrogen
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						Last Modified 7 Oct 2003