Free Energies of Electron Transfer Studies of Gadolinium Nitride Cluster Fullerenes Gd3N@Cn in [X-UT-Y][Gd3N@Cn](n=80, 82, 84, 86 and 88) Supramolecular Complexes

Gadolinium nitride endohedral fullerenes Gd3N@Cn are one of the interesting types of metallofullerenes due to their interesting electronic properties. Electron transfer between C80, C82, C84, C86 and C88 derivatives such as nitride Gadolinium cluster Gd3N@C80 (n=80, 82, 84, 86 and 88) and other molecules is thought to involve the transfer of electrons between molecules surrounding the fullerene cage. One class of electron-transfer molecules is the [X-UT-Y][Gd3N@Cn](n=80, 82, 84, 86 and 88). The supramolecular complexes [X-UT-Y] 1-9 and Gd3N@C80 (n=80, 82, 84, 86 and 88) are shown to possess a previously unreported host-guest interaction for electron transfer processes. To establish a good relationship between the structures of 1-9 with derivatives of nitride metal cluster as Gd3N@C80 (n=80, 82, 84, 86 and 88) 10-14, an index is utilized, μcs. In this study, the relationships between this index and oxidation potential (oxE1) of 1-9, as well as the first and second free energies of electron transfer (DGet(n), for n=1, 2, which is given by the electron transfer (ET) equation) between 1-9 and the nitride Gadolinium cluster Gd3N@C80 (n=80, 82, 84, 86 and 88) 10-14 derivatives as [X-UT-Y][Gd3N@Cn](n=80, 82, 84, 86 and 88) 15a-i -19a-i supramolecular complexes are presented and investigated.

کلیدواژه ها:

Fullerenes ، Nitride Gadolinium clusters ، Unsaturated thiocrown ethers