Now showing items 1-6 of 6

    • 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 ...
    • From Oligo(Phenyleneethynylene) Monomers to Supramolecular Helices: The Role of Intermolecular Interactions in Aggregation 

      Fernández Rodríguez, Berta; Fernández Villar, Zulema; Quiñoá Cabana, Emilio; Freire Iribarne, Félix Manuel (MDPI, 2021)
      Supramolecular helices that arise from the self-assembly of small organic molecules via non-covalent interactions play an important role in the structure and properties of the corresponding materials. Here we study the ...
    • Merging supramolecular and covalent helical polymers: four helices within a single scaffold 

      Fernández Villar, Zulema; Fernández Rodríguez, Berta; Quiñoá Cabana, Emilio; Freire Iribarne, Félix Manuel (ACS Publications, 2021)
      Supramolecular and covalent polymers share multiple structural effects such as chiral amplification, helical inversion, sergeants and soldiers, or majority rules, among others. These features are related to the axial helical ...
    • 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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