Now showing items 1-4 of 4

    • Chiral information harvesting in helical poly(acetylene) derivatives using oligo(p-phenyleneethynylene)s as spacers 

      Fernández Villar, Zulema; Fernández Rodríguez, Berta; Quiñoá Cabana, Emilio; Riguera Vega, Ricardo; Freire Iribarne, Félix Manuel (Royal Society of Chemistry, 2020)
      A chiral harvesting transmission mechanism is described in poly(acetylene)s bearing oligo(p-phenyleneethynylene)s (OPEs) used as rigid achiral spacers and derivatized with chiral pendant groups. The chiral moieties induce ...
    • Decoding the ECD Spectra of Poly(phenylacetylene)s: Structural Significance 

      Fernández Rodríguez, Berta; Rodríguez Riego, Rafael; Quiñoá Cabana, Emilio; Riguera Vega, Ricardo; Freire Iribarne, Félix Manuel (American Chemical Society, 2019-03-13)
      The role of the main dihedral angles in the electronic circular dichroism (ECD) spectra of poly(phenylacetylene)s (PPAs) was estimated by using time-dependent density functional theory (TD-DFT) for oligo(phenylacetylene)s ...
    • Polymeric Helical Structures à la Carte by Rational Design of Monomers 

      Cobos Cabrera, Scarlet Katherine; Rodríguez Riego, Rafael; Domarco Álvarez, Olaya; Fernández Rodríguez, Berta; Quiñoá Cabana, Emilio; Riguera Vega, Ricardo; Freire Iribarne, Félix Manuel (American Chemical Society, 2020)
      Preparation of helical structures à la carte by monomer design of dynamic helical polymers such as poly(phenylacetylene)s (PPAs) is a difficult task due to conformational freedom of the polyene backbone. Herein, we study ...
    • Predicting the Helical Sense of Poly(phenylacetylene)s from their Electron Circular Dichroism Spectra 

      Fernández Rodríguez, Berta; Rodríguez Riego, Rafael; Rizzo, Antonio; Quiñoá Cabana, Emilio; Riguera Vega, Ricardo; Freire Iribarne, Félix Manuel (Wiley, 2018)
      The calculated ECD spectrum (time‐dependent density functional theory TD‐DFT) for small oligomers of polyphenylacetylenes (PPAs) show a very good match with the experimental spectra of the PPA polymers, particularly with ...





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