OH Radical
		Deuterium and Oxygen
	Nuclear Quadrupole Coupling Constants
		in Hydroxyl Radical
	Table 1. Deuterium nqcc's in OH (kHz).     Calc. Expt. [1]      2H eQq1 255.2 143(2)
	The difference between calculated and experimental deuterium nqcc's is 112 kHz (78 %).
	Table 2.  17O nqcc in OH (MHz).  eQqo Experimental [1] -1.92 Calculated B1B95/6-311++G(3df,3p) -1.946 B1LYP/6-311++G(3df,3p) -1.925 B3LYP/6-311++G(3df,3p) -1.870 MP4(SDQ)/6-311++G(3df,3pd) -1.771
	Bond Length, re = 0.97998 Å [3]
	[1] W.L.Meerts and A.Dymanus, Ap.J.(Letters) 180,L93(1973).
	[2] K.R.Leopold, K.M.Evenson, E.R.Comben, and J.M.Brown, J.Mol. Spectrosc. 122,440(1987).
	[3] F.J.Lovas and E.Tiemann, J.Phys.Chem.Ref.Data 3,609(1974).
	O2		NO		SO
	Table of Contents
	Molecules/Deuterium
	Molecules/Oxygen
						OH.html
						Last Modified 30 Sept 2004