CF3I
		Iodine
	Nuclear Quadrupole Coupling Constants
		in Iodotrifluoromethane
	Table 1. Iodine nqcc's in CF3I (MHz).      Calc.   Expt. [1 - 4]     127I eQq - 2097.6 - 2145.017(11)  [1] - 2144.9949(28)  [1]   - 2144.7(6)  [2] - 2145.207(3)  [3] - 2150  [4]
	The difference between calculated and experimental [1] eQq is 47.4 MHz (2.2 %).
	Table 2. Structure parameters, rz [2] (Å and degrees). CI 2.1438(27) CF 1.3285(23) FCF 108.42(23)
	[1] S.L.Stephens and N.R.Walker, J.Mol.Spectrosc. 263,27(2010).
	[2] A.P.Cox, G.Duxbury, J.A.Hardy, and Y.Kawashima, J.Chem.Soc. Faraday Trans. II 76,339(1980).
	[3] S.W.Walters and D.H.Whiffen, J.Chem.Soc. Faraday Trans. 2, 79,941(1983).
	[4] J.Sheridan and W.Gordy, J.Chem.Phys. 20,591(1952).
	H.Jones and F.Kohler, J.Mol.Spectrosc. 58,125(1975).
	CH3I		CF3Br		CF3Cl		CF3CN
	Table of Contents
	Molecules/Iodine
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						Last Modified 24 June 2010