title: Design of Assembled Systems Based on Conjugated Polyphenylene Derivatives and Carbon Nanohorns.
abstract: Promising materials have been designed and fully characterised by an effective interaction between versatile platforms such as carbon nanohorns (CNHs) and conjugated molecules based on thiophene derivatives. Easy and non-aggressive methods have been described for the synthesis and purification of the final systems. Oligothiophenephenylvinylene (OTP) systems with different geometries and electron density are coupled to the CNHs. A wide range of characterization techniques have been used to confirm the effective interaction between the donor (OTP) and the acceptor (CNH) systems. These hybrid materials show potential for integration into solar cell devices. Importantly, surface-enhanced Raman spectroscopy (SERS) effects are observed without the presence of any metal surface in the system. Theoretical calculations have been performed to study the optimised geometries of the noncovalent interaction between the surface and the organic molecule. The calculations allow information on the monoelectronic energies of HOMO-LUMO orbitals and band gap of different donor systems to be extracted.
authors.affiliation: Departamento de Química Orgánica, Inorgánica y Bioquímica, Facultad de Ciencias y Tecnologías Químicas, IRICA Universidad de Castilla-La Mancha, Campus Universitario, 13071, Ciudad Real, Spain.|Dipartimento di Scienze Chimiche e Farmaceutiche, Center of Excellence for Nanostructured Materials (CENMAT) & Italian Interuniversity Consortium on Materials Science and Technology (INSTM - Unit of Trieste), Università degli Studi di Trieste, Piazzale Europa 1, 34127, Trieste, Italy.
authors.forename: Daniel
authors.initials: D
authors.lastname: Iglesias
authors.affiliation: Departamento de Química Orgánica, Inorgánica y Bioquímica, Facultad de Ciencias y Tecnologías Químicas, IRICA Universidad de Castilla-La Mancha, Campus Universitario, 13071, Ciudad Real, Spain.|Crystal Pharma, a division of AMRI, Parque Tecnológico de Boecillo, Valladolid, 47151, Spain.
authors.forename: Javier
authors.initials: J
authors.lastname: Guerra
authors.affiliation: Departamento de Química Orgánica, Inorgánica y Bioquímica, Facultad de Ciencias y Tecnologías Químicas, IRICA Universidad de Castilla-La Mancha, Campus Universitario, 13071, Ciudad Real, Spain.
authors.forename: M Victoria
authors.initials: MV
authors.lastname: Gómez
authors.affiliation: Departamento de Química Orgánica, Inorgánica y Bioquímica, Facultad de Ciencias y Tecnologías Químicas, IRICA Universidad de Castilla-La Mancha, Campus Universitario, 13071, Ciudad Real, Spain.|Università degli Studi di Napoli Federico II - Dipartimento di Scienze Chimiche, Via Cintia 26, Monte Sant'Angelo, 80126, Napoli Campania, Italy.
authors.forename: Antonio M
authors.initials: AM
authors.lastname: Rodríguez
authors.affiliation: Departamento de Química Orgánica, Inorgánica y Bioquímica, Facultad de Ciencias y Tecnologías Químicas, IRICA Universidad de Castilla-La Mancha, Campus Universitario, 13071, Ciudad Real, Spain.
authors.forename: Pilar
authors.initials: P
authors.lastname: Prieto
authors.affiliation: Departamento de Química Orgánica, Inorgánica y Bioquímica, Facultad de Ciencias y Tecnologías Químicas, IRICA Universidad de Castilla-La Mancha, Campus Universitario, 13071, Ciudad Real, Spain.
authors.forename: Ester
authors.initials: E
authors.lastname: Vázquez
authors.affiliation: Departamento de Química Orgánica, Inorgánica y Bioquímica, Facultad de Ciencias y Tecnologías Químicas, IRICA Universidad de Castilla-La Mancha, Campus Universitario, 13071, Ciudad Real, Spain. MariaAntonia.Herrero@uclm.es.
authors.forename: M Antonia
authors.initials: MA
authors.lastname: Herrero
keywords: carbon; energy conversion; hyperconjugation; nanostructures; noncovalent interactions