AsF3
		Arsenic
	Nuclear Quadrupole Coupling Constants
		in Arsenic Trifluoride
	Calculation of the 75As nqcc in AsF3 was made on the re and ro structures of Bürger et al. [1,2].  These nqcc's are compared with the experimental nqcc [3] in Table 1.  Structure parameters are given in Table 2.
	Table 1.  Arsenic nqcc in AsF3 (MHz).  Calculation was made on the re and ro structures.     Calc. / Struct. Expt. [3]     75As Xzz - 222.8  /  re - 235.72(21) - 220.7  /  ro
	Table 2.  AsF3.  Molecular structure parameters (Å and degrees).    re [1]  ro [2] AsF 1.7043(2) 1.70858 FAsF 95.88(4) 96.055
	[1] H.Bürger, H.Ruland, J.Demaison, and P.Dréan, J.Mol.Struct. 517-518,105(2000).
	[2] H.Bürger, J.Demaison, P.Dréan, C.Gerke, L.Halonen, H.Harder, H.Mäder, J.Radtke, and H.Ruland, J.Mol.Spectrosc. 180,85(1996).
	[3] T.Chikaraishi and E.Hirota, BullChem.Soc,Jpn. 46,2314(1973).
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						Last Modified 4 Feb 2009