D5h C50 fullerene: A building block for oligomers and solids?

Lyuben Zhechkov, Thomas Heine, Gotthard Seifert

Research output: Contribution to journalArticle

43 Citations (Scopus)

Abstract

The particular stability of recently synthesized C50Cl 10 cage is discussed by means of its topology: the underlying C 50 cage consists of two corannulene frameworks which are connected by five C2 units. C50X10 is another lower fullerene which has not been found experimentally in its bare form. Oligomerization and polymerization of C50 and C50H x are investigated. A minimum energy pathway to a D5h (C50)6H40 structure is found. C50 is a candidate structure to form oligomers and fullerides. The preferred bridging positions and the 5-fold symmetry suggest the formation of irregular polymers and oligomers.

Original languageEnglish
Pages (from-to)11733-11739
Number of pages7
JournalJournal of Physical Chemistry A
Volume108
Issue number52
DOIs
Publication statusPublished - 2004 Dec 30

All Science Journal Classification (ASJC) codes

  • Physical and Theoretical Chemistry

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