NF3
		Nitrogen
	Nuclear Quadrupole Coupling Constants
		in Nitrogen Trifluoride
	Table 1.  Nitrogen nqcc's in NF3 (MHz).  Calc. / Ref. reference is for the structure on which calculation was made.     Calc. / Ref. Expt. / Ref.     14N Xzz - 7.049 [4] - 7.0854(18)  [1] - 6.976 [6] - 7.093(8)  [2]   - 6.943 [7] - 7.088(30)  [3] - 7.01(6)  [4] - 7.07(10)  [5]
	The difference between calculated [4] and experimental [1] nqcc's is 36 kHz (0.51%).
	The difference between calculated [6] and experimental [1] nqcc's is 110 kHz (1.5%).
	The difference between calculated [7] and experimental [1] nqcc's is 143 kHz (2.0%).
	Table 3. NF3 Structure parameters, re.   re [4]   re [6]   re [7]   re [8] NF 1.365 Å 1.3655 1.3675(10) 1.36757(58) FNF 102o22' 101.904 101.86(10) 101.8513(10)
	[1] G.Cazzoli, L.Cludi, C.DelgiEsposti, and L.Dore, J.Mol.Spectrosc. 152,185(1992); 183,417(1997).
	[2] S.E.Novick, W.Chen, M.R.Munrow, and K.J.Grant, J.Mol. Spectrosc. 179,219(1996).
	[3] W.Höhe and W.A.Kreiner, J.Mol.Spectrosc. 150,28(1991).
	[4] M.Otake, C.Matsumura, and Y.Morino, J.Mol.Spectrosc. 28,316 (1968); 28,325(1968).
	[5] J.Sheridan and W.Gordy, Phys.Rev. 79,513(1950).
	[6] J.Demaison, L.Margulès, and J.E.Boggs, Chem.Phys. 260,65(2000).
	[7] J.Breidung, L.Constantin, J.Demaison, L.Margulès, and W.Thiel, Mol.Phys. 101,1113(2003).
	[8] H.Najib, J.Mol.Spectrosc. 312,1(2015).
	NH3		NFH2		NF2H
	(CH3)3N		NCl3
	Table of Contents
	Molecules/Nitrogen
						NF3.html
						Last Modified 6 Feb 2015