The C—CI Bonds in a-2,4,6-tris(trichIoromethyl)-l,3,5-trioxane, a-Parachloral, (Cl3CCHO)3. A C1-NQR Single Crystal Study
نویسنده
چکیده
By single crystal C1-NQR Zeeman spectroscopy, the five independent C1 nuclear quadrupole coupling tensors in a-parachloral, (Cl3CCHO)3, have been studied at 24 ± 2 °C. The directions of the electric field gradient (EFG) tensor components have been determined. The principal axes are within ± 0.8° parallel to the C-Cl bond directions found by X-ray diffraction. Very small asymmetry parameters in the range 0.002 ^ rj ^ 0.046 are characteristic for the EFG tensors of chlorine atoms bound to carbon atoms in aliphatic systems. The five nuclear quadrupole coupling constants are in the range 76.752 ^ eqQh~/MRz ^ 78.155. The orientation of the principal axes 4>xx and <Pyy can be correlated to the molecular structure.
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