Theoretical and quantitative structural relationships of the electrochemical properties of Cis-unsaturated thiocrown ethers and n-type material bulk-heterojunction polymer solar cells as supramolecular complexes [X-UT-Y]@R (R=PCBM, p-EHO-PCBM, and p-EHO-PCBA)

摘要

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 C n 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 the molecules surrounding the fullerene cage. One class of electron transfer molecules is the methanofullerene derivatives ([6,6]-phenyl C61-butyric acid methyl ester (PCBM), 4-(2-ethylhexyloxy)-[6,6]-phenyl C61-butyric acid methyl ester (p-EHO-PCBM), and 4-(2-ethylhexyloxy)-[6,6]-phenyl C61-butyric acid (p-EHO-PCBA), 10–12). It has been determined that C60 does not obey IPR. Supramolecular complexes 1–9 and 10–12 are shown to possess a previously unreported host–guest interaction for electron transfer processes. The unsaturated, ci...