Metal·lacarborans: síntesis de derivats bor-heteroàtom i aplicacions en energía i magnetisme

• Autores: Ana Begoña Buades Martín
• Directores de la Tesis: Francesc Teixidor Bombardo (dir. tes.)
• Lectura: En la Universitat Autònoma de Barcelona ( España ) en 2021
• Idioma: catalán
• Tribunal Calificador de la Tesis: Emilia Morallón (presid.), Jordi Faraudo Gener (secret.), Hong Yan (voc.)
• Programa de doctorado: Programa de Doctorado en Química por la Universidad Autónoma de Barcelona
• Materias:
  • Química
    • Química inorgánica
      • Compuestos de boro
• Enlaces
  • Tesis en acceso abierto en: TDX
• Resumen

  • This thesis is divided into six chapters. First one introduces the reader to the chemistry world, since the synthesis and characterization of the first boron compound in 1912. Chapter 2 unveils the power to combine theoretical with experimental chemistry to understand the nature of the B-C bond formation using trytilbromide instead of the usual palladium catalyst or iodinate derivatives to obtain B-C derivatives of COSAN in seconds. The target of the research explained on Chapter 3 is the synthesis, spectroscopic and electrochemical characterization of bipyridine derivatives of COSAN and/or FESAN to study the number of electrons able to accept in a reversible way for every product. On the one hand, Chapter 4 present the highest chlorinated derivatives of COSAN synthesized since the date. The study provides the spectroscopic and electrochemical characterization to unveil their possible electrochemical application. On the other hand, Chapter 5 study the behaviour of these derivatives as electrocatalysts for water electrolysis. The research was focus on functionalizing graphite rods with chloro derivatives of COSAN and study their catalytic power together with their electrochemical stability to demonstrate the high potential of these compounds for water oxidation processes. Finally, the research described in Chapter 6 takes advantage of the unpair electron of FESAN to study its properties as Single-Molecule Magnet (SMM). The study was focus on achieving a monocrystal of [NMe4]FESAN able to be resolved by X-ray diffraction to study the magnetic properties of the molecule by theoretical calculations and the study of the relaxation time of the molecule needed to assess its applications as a qubit for quantum computing.