Experimental electron density of sumanene, a bowl-shaped fullerene fragment; Comparison with the related corannulene hydrocarbon

Stefan Mebs, Manuela Weber, Peter Luger, Bernd M. Schmidt, Hidehiro Sakurai, Shuhei Higashibayashi, Satoru Onogi, Dieter Lentz

研究成果: Review article査読

49 被引用数 (Scopus)

抄録

The experimental electron density of sumanene, C 21H 12, was extracted from a high resolution X-ray data set measured at 100 K and topologically analyzed. In addition to bond topological and atomic properties, information about the density distribution between adjacent molecules, which show close C⋯C approaches of ∼3.4 Å within the columnar π-stacks in the crystal lattice, are discussed. A comparison is made with the electron density of the related corannulene molecule based also on the analysis of Electron Localizability Indicator (ELI-D) calculations.

本文言語English
ページ(範囲)2218-2222
ページ数5
ジャーナルOrganic and Biomolecular Chemistry
10
11
DOI
出版ステータスPublished - 2012 3月 21
外部発表はい

ASJC Scopus subject areas

  • 生化学
  • 物理化学および理論化学
  • 有機化学

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