Geometric measures of finite carbon nanotube molecules: A proposal for length index and filling indexes

Taisuke Matsuno, Hisashi Naito, Shunpei Hitosugi, Sota Sato, Motoko Kotani, Hiroyuki Isobe

Research output: Contribution to journalArticlepeer-review

38 Citations (Scopus)

Abstract

The structural chemistry of carbon nanotube molecules has been of increasing interest, as molecular entities with fundamental structures of finite nanotube molecules have emerged. For the new field to be developed further, appropriate structural descriptors are necessary as the basis for discussion. In this paper, we propose new geometric descriptors for finite nanotube molecules. Based on popular existing descriptors, these new descriptors provide geometric measures for length and bond-and atom-filling in tubular molecular structures.

Original languageEnglish
Pages (from-to)489-495
Number of pages7
JournalPure and Applied Chemistry
Volume86
Issue number4
DOIs
Publication statusPublished - 2014 Apr 17

Keywords

  • Atropisomerism
  • Carbon nanotubes
  • ISNA-15
  • Macrocycles
  • Nomenclature
  • Polycyclic aromatics
  • Structure

ASJC Scopus subject areas

  • Chemistry(all)
  • Chemical Engineering(all)

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