Theoretical and Quantitative Structural Relationships Studies of Free Energies of Electron Transfer, Electron Transfer Kinetic, and Electrochemical Properties of Metal Nitride Cluster Fullerenes Y3N@C80 Methano Mono Adduct Derivatives in [X-UT-V][Y3N@C80-[6,6]-Methanofullerene-R] (R = DEM, ex-TTF, a

Abstract

ABSTRACT Since the discovery of fullerenes as a class of nanostructure compounds, many potential applications have been suggested for their unusual structures and properties. The isolated pentagon rule (IPR) states that all pentagonal carbon rings are isolated in the most stable fullerene. Fullerenes Cn , are a class of spherical carbon allotrope group with unique properties. Electron transfer between fullerenes and other molecules is thought to involve the transfer of electrons between molecules surrounding the fullerene cage. One class of interesting molecules is the mono adduct methanofullerene derivatives (Y3N@C80-[6,6]-Methanofullerene-R). Electron transfer between C80 derivatives such as nitride Yttrium cluster Y3N@C80-[6,6]-Methanofullerene-R (R = DEM, exTTF, and OCH2-AQ) 10–12 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-V][Y3N@C80-[6,6]-Methanofullerene-R] (R = DEM, exTTF...