OH Radical
		Deuterium and Oxygen
	Nuclear Quadrupole Coupling Constants
		in Hydroxyl Radical
	Table 1. Deuterium nqcc's in OH (kHz).     Calc. Expt. [1]      2H eQq 274.8 285.1(12)
	Table 2.  17O nqcc in OH (MHz).  eQqo Experimental [2] -1.7142(135) Calculated B1LYP/6-311++G(3df,3p) -1.760 MP4(SDQ)/6-311++G(3df,3pd) -1.617
	Bond Length, re = 0.9696839(11) Å [2].
	[1] J.M.Brown and J.E.Schubert, J.Mol.Spectrosc. 95,194(1982).
	[2] B.J.Drouin, J.Phys.Chem. A 117(39),10076(2013).
	W.L.Meerts and A.Dymanus, Ap.J.(Letters) 180,L93(1973): eQq(D) = 143(2) kHz
	K.R.Leopold, K.M.Evenson, E.R.Comben, and J.M.Brown, J.Mol. Spectrosc. 122,440(1987): eQqo(17O) = -1.92 MHz.
	F.J.Lovas and E.Tiemann, J.Phys.Chem.Ref.Data 3,609(1974): re = 0.97998 Å
	O2		NO		SO
	Table of Contents
	Molecules/Deuterium
	Molecules/Oxygen
						OH.html
						Last Modified 2 May 2013