Induced ring currents in polymerized C60 and C70 molecules

F. López-Urías, J. A. Rodríguez-Manzo, M. Terrones, H. Terrones

Research output: Contribution to journalArticlepeer-review

Abstract

Ring currents induced by the presence of an external magnetic field are investigated in polymerized fullerenes. Linear chains (with closed ends) containing up to ten C60 molecules joined along their 2-, 3-, and 5-fold axes of symmetry, are studied using a π-electrons Hückel model in conjunction with the London approximation. We also investigated linear chains built by connecting C70 fullerenes along the 5-fold axis. Ring current patterns as well as ring current magnetic susceptibilities were calculated. Extremely large ring currents are obtained in polymerized molecules when a specific number of molecules are contained in the linear system. It has been found that C70 chains exhibit large ring currents only for an even number of molecules whereas C60 chains show large rings currents for a particular number of molecules n = 3, 6, 7, 10. Finally, the role played by the curvature on the magnetic response of these polymerized systems is discussed.

Original languageEnglish (US)
Pages (from-to)257-263
Number of pages7
JournalJournal of Computational and Theoretical Nanoscience
Volume4
Issue number2
StatePublished - Mar 2007

All Science Journal Classification (ASJC) codes

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics
  • Computational Mathematics
  • Electrical and Electronic Engineering

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