The effect of fluorination on the thermal properties and crystal structure of bis[N,N-di(trifluoroethyl)dithiocarbamato]nickel(II)

Add time:07/15/2019    Source:sciencedirect.com

The structure of bis[N,N-di(trifluoroethyl)dithiocarbamato]nickel(II) has been determined by single- crystal X-ray diffraction methods. The compound forms strongly pleochroic monoclinic crystals in the space group P21/n (no. 14, C52b) with a=8.519(2), b=8.912(1), c=11.098(2) Å, β=103.18(2)° and Z=2. The final R value for 1002 reflections was 0.040. The nickel atom is chelated in a planar array by two symmetric bidentate N,N-di(trifluoroethyl)dithiocarbamate ligands, 2.199 Å. The known volatility of the compound is explained by the fact that there are no strong intermolecular interactions. The temperature factor coefficients of the compound and its non-fluorinated analogue correlate with the known fragmentation patterns in the gas phase. The resonance form including a double bond CN is characterized both by IR and NMR spectra and the geometry around the nitrogen atom of the N,N-di(trifluoroethyl)dithiocarbamate ligand. The electronic properties of the chelate are dominated by the fluorine atoms, and to a minor extent by the electron-withdrawing capacity of the central atom.

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