CH3NO
	Nitrogen
	Nuclear Quadrupole Coupling Constants
		in Nitrosomethane
	Table 1.  Nitrogen nqcc's in CH3NO (MHz).  Calculation was made on the rs structure of Turner and Cox [2].     Calc. Expt. [1]     14N Xaa 0.627 0.50(16) Xbb - 6.352 - 6.016(80) Xcc 5.725 5.518(80) |Xab| 1.382   RMS 0.239 (6.0 %) RSD 0.030 (1.3 %)
	Table 2.  Nitrogen nqcc's in CD3NO (MHz).  Calculation was made on the rs structure of Turner and Cox [2].     Calc. Expt. [1]     14N Xaa 0.574 0.60(7) Xbb - 6.299 - 6.007(40) Xcc 5.725 5.411(40) |Xab| 1.508   RMS 0.211 (5.2 %) RSD 0.030 (1.3 %)
	[1] D.Coffey Jr, C.O.Britt, and J.E.Boggs, J.Chem.Phys. 49,591(1968).
	[2] P.H.Turner and A.P.Cox, J.Chem.Soc. Faraday Trans. II 74,533(1978).
	"Theoretical study of electric field gradients at nitrogen nuclei in HNO, CH3NO, and C2H3NO" R.Polák, and J.Fišer, Chem.Phys. 375,85(2010).
	HNO		FNO		ClNO		BrNO
	Table of Contents
	Molecules/Nitrogen
						CH3NO.html
						Last Modified 31 Jan 2011