• Title of article

    What do the azobenzene oligomer helixes have to do with the Golden Ratio?

  • Author/Authors

    Benassi، نويسنده , , Enrico، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2013
  • Pages
    11
  • From page
    13
  • To page
    23
  • Abstract
    Azobenzene (di-phenyl-diazene) is a widely-studied prototype for its photoisomerisation capability. Whereas the trans-azobenzene is perfectly planar, the cis conformer assumes an inherent helicity, caused by the steric hindrance of each of the two benzene rings. In this study we explore by first principle DFT calculations the structural, mechanical, and chiroptical properties (Electronic Circular Dichroism spectra, ECD) of n-(phenylazo)-azobenzenes (n = 1–10) from a computational point of view. The idea is that these polymers may photo-switch from a “strip”-like conformation (when each monomer is trans) to a “spring”-like conformation (when each monomer is cis). By studying the mechanical properties of these photo-induced nano-springs, we surprisingly obtain a nexus between the geometrical and elastic parameters and the Golden Ratio.
  • Keywords
    density functional theory (DFT) , Azobenzene derivatives , Golden Ratio , Photo-switcher
  • Journal title
    Computational and Theoretical Chemistry
  • Serial Year
    2013
  • Journal title
    Computational and Theoretical Chemistry
  • Record number

    2286280