146680-56-0Relevant articles and documents
Reactivity of fluoro-substituted bis(thiocarbonyl) donors with diiodine: An XRD, FT-Raman, and DFT investigation
Mancini, Annalisa,Aragoni, M. Carla,Bingham, Ann L.,Castellano, Carlo,Coles, Susanne L.,Demartin, Francesco,Hursthouse, Michael B.,Isaia, Francesco,Lippolis, Vito,Maninchedda, Giuseppe,Pintus, Anna,Arca, Massimiliano
, p. 3071 - 3078 (2013)
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·(1-x)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. Copyright