NF2CN
	Nitrogen
	Nuclear Quadrupole Coupling Constants
		in Difluorocyanamide
	Table 1.  Nitrogen nqcc's in N(1)F2CN(2) (MHz).  Calculation was made on the ro structure of Lee et al. [2].     Calc. Expt. [1]     14N(1) Xaa 1.180 1.00(7) Xbb 5.461 5.64 Xcc - 6.641 - 6.64 |Xab| 3.687   RMS 0.15 (3.3 %) RSD 0.030 (1.3 %)   14N(2) Xaa - 3.985 - 3.71(7) Xbb 2.749 2.50 Xcc 1.236 1.20 |Xab| 1.220   RMS 0.22 (8.7 %) RSD 0.030 (1.3 %)
	Table 1.  Nitrogen nqcc's in N(1)F2CN(2) (MHz).  Calculation was made on the "Kraitchman" (Kr) structure of Lee et al. [2].     Calc. Expt. [1]     14N(1) Xaa 1.076 1.00(7) Xbb 5.541 5.64 Xcc - 6.617 - 6.64 |Xab| 3.948   RMS 0.07 (1.6 %) RSD 0.030 (1.3 %)   14N(2) Xaa - 3.882 - 3.71(7) Xbb 2.779 2.50 Xcc 1.104 1.20 |Xab| 1.157   RMS 0.20 (8.0 %) RSD 0.030 (1.3 %)
	Table 2. Molecular structure parameters (Å and degrees).   ro [2] Kr [2] NF 1.398 1.399 N-C 1.392 1.386 CN 1.151 1.158 FNF 102.9 102.8 FNC 104.7 105.4 NCN 169.7 173.9
	[1] M.Winnewisser and F.Stroh, J.Mol.Struct. 190,357(1988).
	[2] P.L.Lee, K.Cohn, and R.H.Schwendeman, Inorg.Chem. 11,1920(1972).
	PH2CN		PF2CN		PF2NH2
	Table of Contents
	Molecules/Nitrogen
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						Last Modified 23 May 2003