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dc.contributor.authorAshrafKhorasani, Mona
dc.contributor.authorWu, Nan
dc.contributor.authorFleischel, Olivier
dc.contributor.authorSchatte, Gabriele
dc.contributor.authorPetitjean, Anne
dc.date.accessioned2019-05-30T19:41:02Z
dc.date.available2019-05-30T19:41:02Z
dc.date.issued2018-02-08
dc.identifier.urihttp://hdl.handle.net/1974/26259
dc.description.abstractPseudo-octahedral complexes built on chelating ligands offer valuable isomeric properties such as the formation of fac vs mer isomers, and lambda vs delta enantiomers. This article discusses factors guiding the fac vs mer selection of complexes built from the triazolyl-pyridine platform bearing a benzyl substituent, in conjunction with labile metal ions such as zinc(II), iron(II) and nickel(II). Critical parameters that are explored include the geometrical flexibility of the individual metal ion, and the nature of the counter-anion. In essence, it was observed that ions which can withstand significant distortions in their first coordination sphere, such as zinc(II), generally prefer forming the mer isomer irrespective of the counter-anion, whereas ions with more restricted geometry, such as iron(II), are directed either to a fac arrangement by small, tetrahedral anions such as tetrafluoroborate or perchlorate, or to a mer organization by counter-anions of lower symmetry, such as triflate. The molecular interactions operating the selection are discussed. Interestingly, such iron(II) complexes are prime candidates for spin cross-over behavior; hence understanding their isomeric selection may assist in guiding the design of solid-state magnetic materials.en_US
dc.description.sponsorshipFunding from the Natural Sciences and Engineering Research Council (NSERC-DG; grant number 315311-2013) and Queen’s University are acknowledgeden_US
dc.language.isoenen_US
dc.publisherAmerican Chemical Societyen_US
dc.subjectClick chemistryen_US
dc.subjectcoordination chemistryen_US
dc.subjectself-assemblyen_US
dc.subjectsolid stateen_US
dc.titleFac vs Mer Selection in Octahedral Complexes of the N‑Benzyl- Substituted Triazolylpyridine Diad with Labile Metal Ions (Zinc(II), Iron(II), and Nickel(II))en_US
dc.typejournal articleen_US


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