Synthesis and computational investigation of new metal-centered molecular gears

  • Esteban DANLOY

Student thesis: Master types › Master in Chemistry Research focus

Abstract

In this Master thesis, the novel synthesis was followed to prepare several ortho-substituted 9-phosphatriptycene derivatives (R = H, Cl, Me) adapted for the subsequent formation of new metal-centered AMMs. In addition, quantum chemical calculations provided an overview of their structural and thermodynamic properties, giving a first look on the effects of steric hindrance on the rotary motion around the P-M (M = metal) bond.
Date of Award20 Jan 2022
Original languageEnglish
Awarding Institution
  • University of Namur
SupervisorGuillaume Berionni (Supervisor) & Benoit Champagne (Co-Supervisor)

Keywords

  • organic chemistry
  • density functional theory
  • molecular gears

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