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The use of low molecular weight organic receptors for the development of novel detection, capture and remediation technologies.

Ellaby, Rebecca Jane (2022) The use of low molecular weight organic receptors for the development of novel detection, capture and remediation technologies. Doctor of Philosophy (PhD) thesis, University of Kent, University of Kent. (doi:10.22024/UniKent/01.02.97304) (KAR id:97304)


This thesis reports the synthesis of a series of organophosphorus and organosulfur molecules designed to mimic the hydrogen bond accepting capacity of the P=O moiety common within all organophosphorus chemical warfare agents. The association of these molecules towards a series of non-specific low molecular weight hydrogen bond donating receptors and their hydrolysis in the presence of a base is investigated. The development of predictive methodologies for both hydrogen bond accepting simulants and for the reactivity of these molecules for the development of novel detection and remediation technologies; through the combination of low-level computational modelling, experimentally derived values, and exhaustive parameter searches. Here, it is also shown how that association constants derived from these non-specific hydrogen bonded complexes can be used as a parameter within predictive models for simulant reactivity. Finally, this thesis also reports the synthesis of a series of hydrogen bond donor-acceptor amphiphilic salts and their co-formulation with a series of organic molecules. The self-associative and physical chemical properties of these compounds are investigated in the solid and solution state. The potential for these amphiphilic salts to uptake their co-formulants is also investigated to assess their potential as environmental pollutant capture agents.

Item Type: Thesis (Doctor of Philosophy (PhD))
Thesis advisor: Hiscock, Jennifer
DOI/Identification number: 10.22024/UniKent/01.02.97304
Uncontrolled keywords: Supramolecular Chemistry Low molecular weight receptors Hydrogen bond Self-association
Subjects: Q Science > QD Chemistry
Divisions: Divisions > Division of Natural Sciences > Chemistry and Forensics
Funders: Organisations -1 not found.
SWORD Depositor: System Moodle
Depositing User: System Moodle
Date Deposited: 06 Oct 2022 08:10 UTC
Last Modified: 07 Oct 2022 08:29 UTC
Resource URI: (The current URI for this page, for reference purposes)

University of Kent Author Information

Ellaby, Rebecca Jane.

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