ClCP
		Chlorine
	Nuclear Quadrupole Coupling Constants
		in Chlorophosphaethyne
	Table 1. Chlorine nqcc's in ClCP (MHz).  Calculation was made on the equilibrium structures of Merke, et al. [2], McNaughton and Bruget [3], and Puzzarini [4].     Calc./Ref. Expt. [1]     35Cl Xzz - 71.47 [2] - 71.75(18) - 70.90 [3] - 71.40 [4]   37Cl Xzz - 56.33 [2] - 59.24(65) - 55.88 [3] - 56.27 [4]
	The difference between calculated [2] and experimental 35Cl nqcc's is 0.28 MHz (0.39%).  For 37Cl, the difference is 2.90 MHz (4.9%).
	Table 2.  ClCP Molecular structure parameters (Å). re [2]   re [3]   re [4] ClC 1.639 1.6341(62) 1.6383(15) CP 1.548 1.5526(61) 1.5472(15)
	[1] S.Firth, S.Khalaf, and H.Kroto, J.Chem. Soc. Frarday Trans. 88,3393 (1992).
	[2] I.Merke, L.Poteau, G.Wlodarczak, A.Bouddou, and J.Demaison, J.Mol. Spectrosc. 177,232(1996).
	[3] D.McNaughton and D.N.Bruget, J.Mol.Spectrosc. 161,336(1993).
	[4] C.Puzzarini, PCCP, 6,344(2004).
	ClCN		HCP		HCN
	Table of Contents
	Molecules/Chlorine
						ClCP.html
						Last Modified 4 Feb 2008