Theoretical study of [n]ivyanes, n = 2-8

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2 Citations (Scopus)

Abstract

Using quantum mechanical calculations we investigate the structural, spectroscopic, and mechanical properties of ivyanes, a novel family of helical hydrocarbons recently synthesized by Sherburn's group [1]. The Young elastic modulus is predicted to be 1.92 GPa, which is about thirty times smaller than that computed for the α-helix.

Original languageEnglish
Pages (from-to)277-282
Number of pages6
JournalChemical Physics Letters
Volume511
Issue number4-6
DOIs
Publication statusPublished - 2011 Aug 5

ASJC Scopus subject areas

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

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