IF
		Iodine
	Nuclear Quadrupole Coupling Constants
		in Iodine Monofluoride
	Table 1. Iodine nqcc's in IF (MHz).  Calc. = B1LYP/6-311G(df,p)      Calc.    Expt.     127I Xzz - 3458.5 - 3438.17688(167) [1] - 3437.7(7) [2]   - 3438.15(20) [3]
	The difference between calculated and experimental [1] nqcc's is 20.3 MHz (0.59 %).
	Bond Length, re = 1.9097813 Å [4], 1.909757(42) Å [5]
	[1] H.S.P.Müller and M.C.L.Gerry, J.Chem. Phys. 103,577(1995).
	[2] J.C.McGurk and W.H.Flygare, J.Chem.Phys. 59,5742-L(1973).
	[3] E.Tiemann, J.Hoeft, and T.Tõrring, Z.Nutirforsch. 28a,1405(1973).
	[4] F.J.Lovas and E.Tiemann, J.Phys.Chem.Ref.Data, 3,609(1974).
	[5] F.Ito, K.Sugawara, T.Nakanaga, H.Takeo, and C.Matsumura, J.Mol.Spectrosc. 142,191(1990).
	ICl	IBr	FCl	FBr	ClBr	FBr	Cl2	Br2
	Table of Contents
	Molecules/Iodine
						IF.html
						Last Modified 9 Dec 2008