Atomic force microscopy and theoretical investigation of the lifted-up conformation of polydiacetylene on a graphite substrate

Yuji Okawa, Daisuke Takajo, Shigeru Tsukamoto, Tsuyoshi Hasegawa, Masakazu Aono

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33 Citations (Scopus)


The structure of a single polydiacetylene compound on a graphite substrate was investigated using atomic force microscopy (AFM). The linear conjugated polydiacetylenes were obtained through chain polymerization of a monomolecular layer of diacetylene compound on a graphite substrate under ultraviolet light irradiation. AFM observations revealed that the polydiacetylenes were imaged higher than the unpolymerized monomer rows. This result supports the 'lifted-up' conformation model, in which the polydiacetylene backbone is geometrically raised. To investigate why the polymer backbone is lifted, we also carried out first-principles density-functional calculations in the local density approximation. These calculations suggested that the steric hindrance between the alkyl side-chains of the monomers and the oligomer caused the lifted-up conformation.

Original languageEnglish
Pages (from-to)1041-1047
Number of pages7
JournalSoft Matter
Issue number5
Publication statusPublished - 2008 Apr 22


ASJC Scopus subject areas

  • Chemistry(all)
  • Condensed Matter Physics

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