Synthesis and characterization of adducts between SF4 and oxygen bases: examples of O···S(IV) chalcogen bonding

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dc.contributor.authorGoettel, James T.
dc.contributor.authorGerken, Michael
dc.date.accessioned2021-08-04T00:06:29Z
dc.date.available2021-08-04T00:06:29Z
dc.date.issued2016
dc.descriptionAccepted author manuscripten_US
dc.description.abstractLewis acid–base adducts between SF4 and the oxygen bases tetrahydrofuran, cyclopentanone, and 1,2-dimethoxyethane were synthesized and characterized by Raman spectroscopy and X-ray crystallography. Crystal structures of (SF4·OC4H8)2, SF4·(OC4H8)2, SF4·CH3OC2H4OCH3, and SF4·(O═C5H8)2 show weak S···O chalcogen bonding interactions ranging from 2.662(2) to 2.8692(9) Å. Caffeine, which has three Lewis basic sites, was reacted with SF4 and one aliquot of HF forming C8H10N4O2·2SF4·HF, which was also characterized by X-ray crystallography. Density functional theory calculations aided in the assignment of the vibrational spectra of (SF4·OC4H8)2, SF4·(OC4H8)2, SF4·CH3OC2H4OCH3, and SF4·(O═C5H8)2. Bonding was studied by natural bond order and the quantum theory of atoms in molecules analyses.en_US
dc.description.peer-reviewYesen_US
dc.identifier.citationGoettel, J. T., & Gerken, M. (2016). Synthesis and characterization of adducts between SF4 and oxygen bases: Examples of O···S(IV) chalcogen bonding. Inorganic Chemistry, 55(23), 12441-12450. https://doi.org/10.1021/acs.inorgchem.6b02373en_US
dc.identifier.urihttps://hdl.handle.net/10133/5984
dc.language.isoen_USen_US
dc.publisherAmerican Chemical Societyen_US
dc.publisher.departmentDepartment of Chemistry and Biochemistryen_US
dc.publisher.facultyArts and Scienceen_US
dc.publisher.institutionUniversity of Lethbridgeen_US
dc.publisher.urlhttps://doi.org/10.1021/acs.inorgchem.6b02373en_US
dc.subjectAdductsen_US
dc.subjectGroup 16 compoundsen_US
dc.subject.lcshOxygen
dc.subject.lcshSulfur
dc.subject.lcshLewis acids
dc.subject.lcshChalcogens
dc.subject.lcshMolecules
dc.titleSynthesis and characterization of adducts between SF4 and oxygen bases: examples of O···S(IV) chalcogen bondingen_US
dc.typeArticleen_US
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