Chemistry Commons^™

Computational Studies Of Bond Dissociation Energies And Organic Reaction Mechanisms, Shehani Thishakkya Wetthasinghe

Theses and Dissertations

This dissertation presents the progress of two independent projects. Chapter 2 and Chapter 3 focus on the first project, which involves material exploration utilizing machine learning techniques. We explore the potential use of cobaltocenium (CoCp⁺₂) derivatives as metal cations in anion exchange membranes (AEMs) for alkaline fuel cells, highlighting their superior thermal and alkaline stability compared to ammonium derivatives. The stability of CoCp⁺₂ can be fine-tuned by varying the substituent groups attached to the cyclopentadienyl ring (Cp) in CoCp⁺₂ .These derivatives encompass a variety of electron-donating and electron-withdrawing groups as substituents on both …

Cationic Metallo-Polyelectrolytes: Synthesis And Application In Self-Assembly And Mechanochemistry, Yujin Cha

Theses and Dissertations

In this dissertation, cationic metallocene-containing polyelectrolytes were investigated for the construction of nano-objects by CDSA and the mechanical force-responsive polymer. The self-assembly behavior and mechanically induced polymer deformation were characterized and discussed.

In Chapter 1, the overall background and recent development of metallocene-containing polymers as well as their applications in self-assembly and polymer mechanochemistry were introduced. Primary research objectives were described.

The first section of the dissertation on the CDSA of cationic metallocene-containing block copolymers was provided in Chapter 2. The preparation of PCL-b-PCoAEMAs was achieved through ring-opening polymerization (ROP) of ε-caprolactone and reversible addition-fragmentation chain-transfer (RAFT) polymerization of cobaltocenium …

Cobaltocenium Containing Polymers: Complexation With Organic Anion And Initial Assesment For Anion Exchange Membranes, Mohammad Pabel Kabir

Theses and Dissertations

In this thesis, cobaltocenium containing monomers and polymers are investigated for guest anion loading and alkaline anion exchange membrane for fuel cells. The properties of these polymers are characterized and discussed.

Chapter 1 describes overall background and potential applications of metallocene and metallocenium containing polymers. The research objectives of metallocenium containing polymers are discussed.

Cobaltocenium containing polymers have potential applications in biomedical science. Therefore, the effect of different parameters such as electrostatic charge, size, conformation, π-electron system and hydrogen bonding on the interactions between these polymers and small anionic probes has been studied qualitatively, as described in Chapter 2. A …