CF3CN
		Nitrogen
	Nuclear Quadrupole Coupling Constants
		in Trifluoromethyl Cyanide
	Table 1.  Nitrogen nqcc's in CF3CN (MHz).   Calc. Expt. / Ref.     14N eQq - 4.698 - 4.666(4)  [1] - 4.656(15)  [2]
	The difference between calculated and experimental [1] nqcc's is 32 kHz (0.68 %).
	Table 2.  Molecular structure parameters rz [1] (Å and degrees). CF 1.3281(17) CC 1.4924(46) CN 1.1536(6) FCC 109.23(19)
	[1] A.P.Cox, M.C.Ellis, A.C.Legon, and A.Wallwork, J.Chem.Soc. Faraday Trans. 89,2937(1993).
	[2] W.Kasten, H.Dreizler, B.E.Job, and J.Sheridan, Z.Naturforsch 38a,1015(1983).
	A.Friedrich, C.Gerke, H.Harder, H.Mäder, J.Cosléou, G.Wlodarczak, and J.Demaison, Mol.Phys. 91,697(1997).
	J.Sheridan and W.Gordy, J.Chem.Phys. 20,591(1952): eQq = -4.70 MHz.
	HCN		FCN		ClCN		BrCN
	CH3CN		HCCCN		CH2CHCN		CH3CH2CN
	C6H5CN		(CH3)3CCN
	Table of Contents
	Molecules/Nitrogen
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						Last Modified 25 March 2010