論文

査読有り
2015年6月

Kinetic Stability of Non-IPR Fullerene Molecular Ions

JOURNAL OF PHYSICAL CHEMISTRY A
  • Jun-ichi Aihara
  • ,
  • Yuto Nakagami
  • ,
  • Rika Sekine

119
24
開始ページ
6542
終了ページ
6550
記述言語
英語
掲載種別
研究論文(学術雑誌)
DOI
10.1021/acs.jpca.5b03468
出版者・発行元
AMER CHEMICAL SOC

Many fullerenes that violate the isolated pentagon rule (IPR) form stable metallofullerenes. In general, a fullerene cage is kinetically stabilized by acquiring a given number of electrons. Kinetic stability of negatively charged non-IPR fullerenes, including the recently isolated endohedral metallofullerene with a heptagonal face, was rationalized in terms of bond resonance energy (BRE). Interestingly, molecular anions of conventional fullerenes found in most isolated metallofullerenes are kinetically stable with large positive BREs for all CC bonds. As We pointed out in 1993, the IPR does not apply to charged fullerenes because it-bonds shared by two five-membered rings are aromatized to varying extents.

リンク情報
DOI
https://doi.org/10.1021/acs.jpca.5b03468
Web of Science
https://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=JSTA_CEL&SrcApp=J_Gate_JST&DestLinkType=FullRecord&KeyUT=WOS:000356753600041&DestApp=WOS_CPL
ID情報
  • DOI : 10.1021/acs.jpca.5b03468
  • ISSN : 1089-5639
  • Web of Science ID : WOS:000356753600041

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