C5H5BeCl
		Chlorine
	Nuclear Quadrupole Coupling Constants
	in Cyclopentadienylberyllium Chloride
	An ro and partial rs structure of, and eqQ for 35Cl in C5H5BeCl have been determined by Bjørseth et al. [1].
	Calculation of the chlorine eqQ was made here on the ro and partial rs structures.  These are compared with the experimental eqQ in Table 1.  Structure parameters are given in Table 2.
	Table 1. Chlorine nuclear quadrupole coupling constants in C5H5BeCl (MHz).  Calculation was made on the ro and partial rs structures of reference [1].   Calc/ro Calc/rs Expt. [1]     35Cl eqQ - 20.28 - 19.02 - 22(2)   37Cl eqQ - 15.99 - 14.99
	Table 2. Structure parameters, ro and partial rs [1] (Å).      ro   rs CC 1.424 1.424(3) CH 1.090 1.09(3) BeCl 1.839 1.81(3) Be-ring 1.485 1.52(3) Cl - - - C 3.538 3.546(5)
	[1] A.Bjørseth, D.A.Drew, K.M.Marstokk, and H.Møllendal, J.Mol.Struct. 13,233(1972).
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	Molecules/Chlorine
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						Last Modified 26 April 2008