Effect of charge state on polymeric bonding geometry: The ground state of Na2RbC60

Götz M. Bendele, Peter W. Stephens, Kosmas Prassides, Konstantinos Vavekis, Konstantinos Kordatos, Katsumi Tanigaki

Research output: Contribution to journalArticlepeer-review

94 Citations (Scopus)

Abstract

Theoretical calculations have predicted all fullerene polymers to have interfullerene connections via [2+2] cycloaddition. We find that the ground state of Na2RbC60 is a one-dimensional polymer of fullerene molecules connected by single carbon-carbon bonds. We discuss and exclude possible steric and kinetic reasons for this discrepancy. Our results imply that it is the charge state of the fullerene molecule that drives the bonding mechanism, causing \(C601-\)n and neutral \(C60\)n to favor cycloaddition and \(C603-\)n to favor single carbon-carbon bonds.

Original languageEnglish
Pages (from-to)736-739
Number of pages4
JournalPhysical review letters
Volume80
Issue number4
DOIs
Publication statusPublished - 1998
Externally publishedYes

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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