Symbiotic Supramolecular Chemistry - The Development of Smart Soaps

White, Lisa-Jane (2018) Symbiotic Supramolecular Chemistry - The Development of Smart Soaps. Master of Science by Research (MScRes) thesis, University of Kent,. (Access to this publication is currently restricted. You may be able to access a copy if URLs are provided)

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Abstract

Supramolecular chemistry is continually being explored, applied and expanded in many countries all over the world. The complexity of this area of science means that it is continually researched. This study has demonstrated the importance of the self-assembly between surfactants structures and supramolecular aggregation. Within this thesis the design, synthesis, characterization and binding properties of five amphiphilic molecules are discussed. These molecules were investigated in the gaseous phase, solid and solution states by a variety of complementary analytical techniques with the results demonstrating that the anionic monomers have a propensity to self-associate into a variety of aggregated species. A selection of 1H and DOSY NMR experiments were conducted in DMSO-d6, providing evidence that these molecules tend to form dimeric rather than larger aggregated species. The presence of hydrogen bonding was further confirmed by 1H NMR self-association studies, showing a down field change in chemical shift due to both the urea NH. The data when fitted to dimerization/Equal K (EK) binding model showed that the dimerization constant increases in line with the increase of aromatic substituents. By direct observation it was established that the sulfonate-anion molecules self-associated through intermolecular hydrogen bonds to form aggregated species of either irregular or spherical shape in solution. The size and type of these species was both concentration, and solute dependent. CMC values and dimerization constants correlated well with the computationally derived Emax and Emin values, giving preliminary evidence that self-association properties may be predicted by low level computational modelling methods. This innovative, cohesive branch of supramolecular chemistry will revolutionise the study and scope of non-covalent interactions beyond the molecule.

Item Type: Thesis (Master of Science by Research (MScRes))
Thesis advisor: Hiscock, Jennifer
Thesis advisor: Clark, Ewan
Uncontrolled keywords: Intermolecular, Intramolecular, Self-association, Aggregate, Hydrogen bonding, Non-covalent interactions, amphiphilic, Surfactant
Divisions: Faculties > Sciences > School of Physical Sciences
SWORD Depositor: System Moodle
Depositing User: System Moodle
Date Deposited: 05 Apr 2018 10:12 UTC
Last Modified: 29 May 2019 20:26 UTC
Resource URI: https://kar.kent.ac.uk/id/eprint/66626 (The current URI for this page, for reference purposes)
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