| Abstract: | The reactions of 1,3,8,10-tetrakis(
4’-fluorophenyl)-4,5,6,7-tetrathiocino[
1,2-b:3,4-b’]diimidazolyl-2,9-dithione
(4) and molecular diiodine afforded
spoke adducts with stoichiometries
4·I2 and 4·3I2, isolated in the compound
4·3I2·xCH2Cl2·ACHTUNGTRENUNG(1x)I2 (x=0.70),
and characterized by single-crystal
XRD and FT–Raman spectroscopy.
The nature of the reaction products
was investigated under the prism of
theoretical calculations carried out at
the DFT level. The structural data,
FT–Raman spectroscopy, and quantum
mechanical calculations agree in indicating
that the introduction of fluorophenyl
substituents results in a lowering
of the Lewis basicity of this class of
bis(thiocarbonyl) donors compared
with alkyl-substituted tetrathiocino
donors and fluorine allows for extended
interactions that are responsible for
solid-state crystal packing. |
