ClCCBr
		Chlorine and Bromine
	Nuclear Quadrupole Coupling Constants
		in Chlorobromoacetylene
	Calculation of Cl and Br nqcc's in chlorobromoacetylene was made on an rs/ro structure derived by Bjørseth et al. [1].  Calculated and experimental nqcc's are compared in Table 1.  Structure parameters are given in Table 2.
	Table 1.  Chlorine and Bromine nqcc's in ClCCBr (MHz).   Calc. Expt. [1]     35Cl eqQ - 79.68   37Cl eqQ - 62.79   79Br eqQ 660.74 685(50)   81Br eqQ 552.03 581(50)
	Table 2.  ClCCBr Molecular structure parameters. rs/ro [1] (Å). ClC 1.628(5) CC 1.209(8) CBr 1.790(5)
	[1] A.Bjørseth, E.Kloster-Jensen, K.-M.Marstokk, and H.Møllendal, J.Mol.Struct. 6,181(1970).
	HCCCl		HCCBr		ClCCI
	FCCCl		FCCBr		ClCCCl
	Table of Contents
	Molecules/Chlorine
	Molecules/Bromine
						ClCCBr.html
						Last Modified 25 Nov 2008