HCP
		Deuterium
	Nuclear Quadrupole Coupling Constants
		in Methylidynephosphine
	Calculation of the deuterium nqcc was made here on the equilibrium structure of Strey and Mills [1].  The results are compared in Table 1 with the experimental nqcc of Hartford, et al. [2].  Several reported equilibrium structures are compared in Table 2.
	Table 1. Deuterium nqcc's in HCP (kHz).  Calculation was made on the re structure of Strey and Mills [1].     Calc. Expt. [3]     2H Xzz 207.3 233(40)
	Table 2.  Molecular structure parameters (Å).   re [1] re [3] re [4] re [5] HC 1.0692 1.0702 1.070 1.0660 CP 1.5398 1.5399 1.540 1.54045
	[1] G.Strey and I.M.Mills, Mol.Phys. 26,129(1973).
	[2] S.L.Hartford, W.C.Allen, C.L.Norris, E.F.Pearson, and W.H.Flygare, Chem.Phys.Lett. 18,153(1973).
	[3] C.Puzzarini, R.Tarroni, P.Palmieri, J.Demaison, and M.L.Senent, J.Chem.Phys. 105,3132(1996).
	[4] P.Dréan, J.Demaison, L.Poteau, and J.-M.Denis, J.Mol.Spectrosc. 176,139(1996).
	[5] J.Lavigne, C.Pépin, and A.Cabana, J.Mol.Spectrosc. 104,49(1984).
	HCN
	Table of Contents
	Molecules/Deuterium
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						Last Modified 29 May 2003