SiH3Cl
		Chlorine
	Nuclear Quadrupole Coupling Constants
		in Silyl Chloride
	Chlorine nqcc's in silyl chloride have recently been been re-measured by Demaison et al. [1].  Earlier measurements were made by Kewley et al. [2], and by Barrett and Carpenter [3].
	Calculation of the nqcc's was made here on each of several molecular structures [1-4], these are compared with the experimental nqcc's in Table 1.  Structure parameters are compared in Table 2.
	Table 1.  Chlorine nqcc's in SiH3Cl (MHz).     Calc./Ref.  References are for the molecular structures shown below in Table 2.       Calc./Ref. Expt. [1-3]   35Cl Xzz - 40.03 [1] - 39.689(5) [1] - 41.24 [4] - 39.70(7) [3] - 40.13 [2] - 39.74 [2] - 40.35 [5]     37Cl Xzz - 31.55 [1] - 31.282(5) [1] - 32.50 [4] - 31.46(23) [3] - 31.62 [2] - 31.31 [2] - 31.80 [5]
	Table 2.  Molecular structure parameters (Å and degrees). re [1] re [4] rs [2] ro [5] SiCl 2.0458 2.0673 2.048 2.0506 SiH 1.4696 1.4676 1.482 1.4750 HSiCl 108.295 108.31 107.9 108.30
	[1] J.Demaison, H.Šormova, H.Bürger, L.Margulès, F.L.Constantin, and A.Ceaqusu-Velcescu, J.Mol.Spectrosc. 232,311(2005).
	[2] R.Kewley, P.M.McKinney, and A.G.Robiette, J.Mol.Spectrosc. 34,390(1970).
	[3] D.Barrett and J.H.Carpenter, J.Mol.Spectrosc. 107,153(1984).
	[4] W.Thiel, Y.Yamaguchi, and H.F.Schaefer III, J.Mol.Spectrosc. 132,193(1988).
	[5] J.L.Duncan, J.L.Harvey, D.C.McKean,and S.Cradock, J.Mol.Struct. 145,225(1986).
	SiH2Cl2		SiHCl3		SiF3Cl
	Table of Contents
	Molecules/Chlorine
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						Last Modified 30 June 2005