Synthesis and Characterisation of molecular materials

  • Hazel Davies

Student thesis: Doctoral ThesisPhD


Chapter 1 contains a brief background into subjects such as Robin-Day classes, binary code, logic gates and electrochemistry in order to aid understanding of the rest of the chapter. The unique paradigm of Molecular Quantum Cellular Automata (MQCA) is presented along with the advantages it offers to traditional silicon based electronics. A summary of the existing modelled and synthesised MQCA systems is included along with an explanation of the characteristics required for materials to be suitable for MQCA. The subject of chapter 2 is cyclopentadiene cobalt cyclobutadiene complexes for the application of MQCA. The introduction examines the mechanism for the formation of cyclopentadiene cobalt cyclobutadiene complexes and the bonding in these compounds. A range of acetylenes were prepared for the formation of cyclopentadiene cobalt cyclobutadiene complexes were examined and characterised. Metal fragments including {Ru(dppe)2Cl} and AuPPh3Cl were attached to a cyclopentadiene cobalt cyclobutadiene core and these materials were characterised. The subject of chapter 3 is benzene based materials for the application of MQCA. 1,2,4,5-tetrakis(ferrocenylethynyl)benzene was prepared, characterised and the electrochemistry was examined for electronic communication between the ferrocene sites. A range of two metal centre compounds were examined for solubility and electrochemical stability with the view of preparing four metal centre compounds with a benzene core. The subject of chapter 4 is porphyrin based materials. This was the first area of work for this thesis and was discontinued. A brief summary of the synthetic work carried out is described, along with some literature work that was published whilst this work was being carried. Chapter 5 contains the experimental information for chapters 2-4.
Date of Award1 Dec 2008
Original languageEnglish
Awarding Institution
  • University of Bath
SupervisorPaul Raithby (Supervisor) & Andrew Johnson (Supervisor)


  • cellular
  • quantum
  • automata
  • Molecular

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