Bulletin of the Korean Chemical Society

Korean Chemical Society (대한화학회)
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Single Organic Molecules Designed as Nanoscale Connectors: Fullerene Isoxazoline Derivatives

  • Lee, Han-Myong (Center for Superfunctional Materials, POSTECH) ;
  • Lee, Chang-Hoon (School of Natural Sciences and Research Institute of Basic Sciences, Wonkwang University) ;
  • Cho, Min-Sil (School of Natural Sciences and Research Institute of Basic Sciences, Wonkwang University) ;
  • Hwang, Yong-Gyoo (School of Natural Sciences and Research Institute of Basic Sciences, Wonkwang University) ;
  • Lee, Kee-Hag (School of Natural Sciences and Research Institute of Basic Sciences, Wonkwang University)
  • Published : 2004.12.20
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Abstract

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.

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