Quantitative structural relationship study of electrochemical properties on the nano structures of cis-unsaturated thiocrown ethers and their supramolecular complexes [X-UT-Y] [Sc-2@C-84] and [X-UT-Y] [Er-2@C-82]

Since the discovery of the fullerenes class of carbon compounds, the unusual structures and properties of these molecules and the many potential applications have been offered. Unsaturated thiocrown ethers with cis-geometry are a group of crown ethers that, in light of their conformational restriction compared to a corresponding saturated system and the size their cavities, (1-9) demonstrate interesting properties for physicochemical studies. Endohedral metalofullerenes M@CX were introduced as a new class of spherical fullerenes group with unique properties. Formation of endohedral metallofullerenes is thought to involve the transfer of electrons from the encapsulated metal atom(s) to the surrounding fullerene cage. Two of these molecules are the Sc2@C84 (10) and Er2@C82 (11). The supramolecular complexes of 1-9 with Sc2@C84 (10) and Er2@C82 (11) have been shown to possess a host-guest interaction for electron transfer processes, and these behaviors have previously been reported. Topological indices have been successfully used to construct effective and useful mathematical methods for finding good relationships between structural data and the various chemical and physical properties. To establish a good structural relationship between the structures of 1-9 with M@Cx that they were introduced here was utilized an index that is introduced by "cs". This index is the ratio of summation of the number of carbon atoms (nc) and the number of sulfur atoms (ns) with the product of these two scales for 1-9. In this study, the relationship between this index and oxidation potential (oxE1) of 1-9, as well as the free energy of electron transfer (Get, by the Rehm-Weller equation) between 1-9 and 10 and 11 as [X-UT-Y] [Sc2@C84] (12) and [X-UT-Y] [Er2@C82] (13) complexes are presented