Single Organic Molecules Designed as Nanoscale Connectors:Fullerene Isoxazoline Derivatives

摘要

Recently a fullerene isoxazoline was reported as an example for nanoscale connectors in molecular electronic devices.The construction of nanoscale devices is a potentially important area of technology.By using the semiempirical PM3 calculation,we optimized the structures for two fullerene isoxazoline derivatives and thirteen regioisomers of the second addition of a nitride oxide to a fullerene isoxazoline derivative.Our results suggest that fullerene isoxazoline derivatives could be used as nanoscale connectors with the possibility of attaching of spacer units in a specific angle arrangement.