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Structure-activity relationships in Werner clathrates
Includes bibliographical references.
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| Other Authors: | |
| Format: | Thesis |
| Language: | English |
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Department of Chemistry
2016
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| _version_ | 1867613297057988609 |
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| access_status_str | Open Access |
| author | Moore, Madeleine Henrietta |
| author2 | Nassimbeni, Luigi R |
| author_browse | Moore, Madeleine Henrietta Nassimbeni, Luigi R |
| author_facet | Nassimbeni, Luigi R Moore, Madeleine Henrietta |
| author_sort | Moore, Madeleine Henrietta |
| collection | Thesis |
| description | Includes bibliographical references. |
| format | Thesis |
| id | oai:open.uct.ac.za:11427/17038 |
| institution | University of Cape Town (South Africa) |
| language | eng |
| last_indexed | 2026-06-10T12:33:54.099Z |
| license_str | Not specified — see source repository |
| provenance_str_mv | Harvested via OAI-PMH from UCTD — University of Cape Town Open Access Repository |
| publishDate | 2016 |
| publishDateRange | 2016 |
| publishDateSort | 2016 |
| publisher | Department of Chemistry |
| publisherStr | Department of Chemistry |
| record_format | dspace |
| source_str | UCTD — University of Cape Town Open Access Repository |
| spelling | oai:open.uct.ac.za:11427/17038 Structure-activity relationships in Werner clathrates Moore, Madeleine Henrietta Nassimbeni, Luigi R Physical Chemistry Clathrate compounds Includes bibliographical references. The synthesis and characterization of a series of inorganic coordination compounds which, upon crystallization, have the ability to include solvent or guest molecules spatially within the lattice are reported. The compounds have the following general formula: [NiX2B4] - where X is isothiocyanate or bromine and B is 4-ethylpyridine, 4-vinylpiridine or 3,5-dimethylpyridine; [NiX2B2]n - where X is isothiocyanate, B is 2-aminopyridine and n indicates it is a polymer; [NiX2AB2]2 - where X is isothiocyanate, B is 3-aminopyridine (two of these four ligands in the dimer are bridging) and A is water. The various guest molecules have been carefully chosen, according to their point symmetry, which is a key factor in yielding structures of a particular type. The structures of seventeen compounds have been elucidated by single crystal x-ray analysis. The difficulty has been found to lie in refining disordered guest molecules. Other techniques employed in the initial characterization of these compounds are Microanalysis, Mass Spectrometry and UV/Visible Spectrophotometry. An intramolecular potential energy study on the [Ni(NCS)2(3,5-diMepy)4] complex reveals that the orthohydrogens on the 3,5-dimethylpyridine ligands control the conformation of the molecule. Packing densities and volume comparisons of the [Ni(NCS)2(4-Etpy)4] and [Ni(NCS)2(4-Vipy)4] complexes and their clathrates have been carried out. The exact sizes and shapes of the cavities in which the guest molecules are located in the x-ray crystal structures have been evaluated by both intermolecular potential energy and molecular volume calculations. Thermodynamic and spectroscopic properties of the [Ni(NCS)2(4-Etpy)4] and [Ni(NCS)2(4-Vipy)4] clathrates have been studied in both solution and the solid state. The techniques used are x-ray powder diffractometry, IR spectroscopy and Thermogravimetry (including Differential Thermal Analysis). 2016-02-15T07:15:42Z 2016-02-15T07:15:42Z 1987 Doctoral Thesis Doctoral PhD http://hdl.handle.net/11427/17038 eng application/pdf Department of Chemistry Faculty of Science University of Cape Town |
| spellingShingle | Physical Chemistry Clathrate compounds Moore, Madeleine Henrietta Structure-activity relationships in Werner clathrates |
| thesis_degree_str | Doctoral |
| title | Structure-activity relationships in Werner clathrates |
| title_full | Structure-activity relationships in Werner clathrates |
| title_fullStr | Structure-activity relationships in Werner clathrates |
| title_full_unstemmed | Structure-activity relationships in Werner clathrates |
| title_short | Structure-activity relationships in Werner clathrates |
| title_sort | structure activity relationships in werner clathrates |
| topic | Physical Chemistry Clathrate compounds |
| url | http://hdl.handle.net/11427/17038 |
| work_keys_str_mv | AT mooremadeleinehenrietta structureactivityrelationshipsinwernerclathrates |