13C NMR patterns of C36H2x fullerene hydrides

Clémence Corminboeuf, Patrick W. Fowler, Thomas Heine

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Abstract

Calculations of 13C nuclear shieldings for low-energy isomers of C36H2x (x = 2, 3) suggest that it should be possible to use experimental 13C shifts, when these become available, to distinguish the isomeric form of the underlying fullerene cage and, in the case of isomers based on the six-fold symmetrical cylindrical fullerene cage 36:15, the degree of polar hydrogenation.

Original languageEnglish
Pages (from-to)405-410
Number of pages6
JournalChemical Physics Letters
Volume361
Issue number5-6
DOIs
Publication statusPublished - 2002 Aug 6

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All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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