{"id":{"repo_id":"lethbridge","oai_identifier":"oai:opus.uleth.ca:10133/7228"},"canonical_url":"https://search.dev.ndltd.org/etd/lethbridge/oai:opus.uleth.ca:10133/7228","repository":{"repo_id":"lethbridge","name":"University of Lethbridge","base_url":"https://opus.uleth.ca/server/oai/request"},"display":{"title":"Sulfur diimides and their tin(IV) complexes, and contributions to improved models for X-ray crystal structures","abstract":"Modernization of X-ray crystallographic structure model refinement using NoSpherA2 and an extensive investigation of the chemical and electrochemical properties of sulfur diimides (SDIs) and their tin(IV) chloride complexes are described. NoSpherA2, an X-ray model refinement tool recently integrated into the free-to-use Olex2 program, is shown by thorough comparative analysis to significantly outperform conventional Independent Atom Model (IAM) methods. Consistent improvements in hydrogen atom placement and non-H bond precisions demonstrate the benefits of incorporating NoSpherA2 into routine processing of crystallographic data. The synthesis of a systematic series of SDIs is presented alongside a comprehensive study of their fundamental properties, both on their own and as ligands in tin(IV) complexes. Their voltammetric behaviour is meticulously documented and suggests the SDIs are acting as redox-active ligands. This foundational work positions SDIs as promising candidates in this very active field of research, and provides warrant and clear direction for future endeavours therein.","abstract_html":"Modernization of X-ray crystallographic structure model refinement using NoSpherA2 and an extensive investigation of the chemical and electrochemical properties of sulfur diimides (SDIs) and their tin(IV) chloride complexes are described. NoSpherA2, an X-ray model refinement tool recently integrated into the free-to-use Olex2 program, is shown by thorough comparative analysis to significantly outperform conventional Independent Atom Model (IAM) methods. Consistent improvements in hydrogen atom placement and non-H bond precisions demonstrate the benefits of incorporating NoSpherA2 into routine processing of crystallographic data. The synthesis of a systematic series of SDIs is presented alongside a comprehensive study of their fundamental properties, both on their own and as ligands in tin(IV) complexes. Their voltammetric behaviour is meticulously documented and suggests the SDIs are acting as redox-active ligands. This foundational work positions SDIs as promising candidates in this very active field of research, and provides warrant and clear direction for future endeavours therein.","abstract_has_math":false,"creators":["Hill, Nathan D. D.","University of Lethbridge. Faculty of Arts and Science"],"institution":null,"degree_name":null,"degree_level":null,"degree_discipline":null,"degree_department":null,"school":null,"contributors":[],"advisors":[],"committee_chairs":[],"committee_members":[],"year":2025,"date_issued":"2025","date_published":"2025","updated_at":"2026-07-27T20:02:08Z","subjects":["sulfur diimides","tin(IV) complexes","thiazyl chemistry","x-ray crystallographic structures","model refinement"],"languages":[],"rights":[],"rights_urls":[],"identifier_entries":[{"key":"dc:identifier","label":"Identifier","values":["hdl:10133/7228"],"render_values":[{"text":"hdl:10133/7228","href":null,"code":true}]}]},"links":{"outbound_url":null,"outbound_label":null,"outbound_source":null},"metadata_groups":[{"id":"academic_context","label":"Academic Context","entries":[{"key":"dc:date.issued","label":"Date","values":["2025"]},{"key":"dc:type","label":"Dc Type","values":["Thesis"]}]},{"id":"subjects_keywords","label":"Subjects and Keywords","entries":[{"key":"dc:subject","label":"Dc Subject","values":["sulfur diimides","tin(IV) complexes","thiazyl chemistry","x-ray crystallographic structures","model refinement"]}]},{"id":"identifiers","label":"Identifiers","entries":[{"key":"dc:identifier","label":"Identifier","values":["hdl:10133/7228"]}]},{"id":"additional","label":"Additional Metadata","entries":[{"key":"dc:description.other","label":"Dc Description Other","values":["Modernization of X-ray crystallographic structure model refinement using NoSpherA2 and an extensive investigation of the chemical and electrochemical properties of sulfur diimides (SDIs) and their tin(IV) chloride complexes are described. NoSpherA2, an X-ray model refinement tool recently integrated into the free-to-use Olex2 program, is shown by thorough comparative analysis to significantly outperform conventional Independent Atom Model (IAM) methods. Consistent improvements in hydrogen atom placement and non-H bond precisions demonstrate the benefits of incorporating NoSpherA2 into routine processing of crystallographic data. The synthesis of a systematic series of SDIs is presented alongside a comprehensive study of their fundamental properties, both on their own and as ligands in tin(IV) complexes. Their voltammetric behaviour is meticulously documented and suggests the SDIs are acting as redox-active ligands. This foundational work positions SDIs as promising candidates in this very active field of research, and provides warrant and clear direction for future endeavours therein."]},{"key":"dc:title","label":"Title","values":["Sulfur diimides and their tin(IV) complexes, and contributions to improved models for X-ray crystal structures"]}]}],"canonical_facts":{"dc:date.issued":["2025"],"dc:description.other":["Modernization of X-ray crystallographic structure model refinement using NoSpherA2 and an extensive investigation of the chemical and electrochemical properties of sulfur diimides (SDIs) and their tin(IV) chloride complexes are described. NoSpherA2, an X-ray model refinement tool recently integrated into the free-to-use Olex2 program, is shown by thorough comparative analysis to significantly outperform conventional Independent Atom Model (IAM) methods. Consistent improvements in hydrogen atom placement and non-H bond precisions demonstrate the benefits of incorporating NoSpherA2 into routine processing of crystallographic data. The synthesis of a systematic series of SDIs is presented alongside a comprehensive study of their fundamental properties, both on their own and as ligands in tin(IV) complexes. Their voltammetric behaviour is meticulously documented and suggests the SDIs are acting as redox-active ligands. This foundational work positions SDIs as promising candidates in this very active field of research, and provides warrant and clear direction for future endeavours therein."],"dc:identifier":["hdl:10133/7228"],"dc:subject":["sulfur diimides","tin(IV) complexes","thiazyl chemistry","x-ray crystallographic structures","model refinement"],"dc:title":["Sulfur diimides and their tin(IV) complexes, and contributions to improved models for X-ray crystal structures"],"dc:type":["Thesis"]},"updated_at":"2026-07-27T20:02:08Z"}