CH3D
		Deuterium
	Nuclear Quadrupole Coupling Constants
		in Methane
	Table 1.  Deuterium nqcc's in CH3D (kHz).     Calc. Expt. [1]     2H Xzz 193.4 191.48(77)
	The difference between calculated and experimental nqcc's is 1.9 kHz   (1.0 %).
	CH Bond length, re = 1.0858 Å [2].
	[1] S.C.Wofsy. J.S.Muenter, and W.Klemperer, J.Chem.Phys. 53,4005(1970).
	[2] D.L.Gray and A.G.Robiette, Mol.Phys. 37,1901(1979).
	"A refined estimate of the bond length of methane" J.F.Stanton, Mol.Phys. 97, 841(1999).  Ab initio re = 1.085955 ± 0.0003 Å.
	CDF3		CDCl3		CD2Br2		CD2(CN)2
	CD2F2		CD2Cl2		CD3Br		CD3CN
	CD3F		CD3Cl
	Table of Contents
	Molecules/Deuterium
	Summary/Methyls  Deuterium nqcc's in substituted methanes.
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						Last Modified 29 May 2003