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Reversible single-crystal to single-crystal phase transformation between a new werner clathrate and its apohost†

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Show simple item record Matos, Catiúcia R. M. O. Sanii, Rana Wang, Shi-Qiang Ronconi, Célia M. Zaworotko, Michael J. 2021-09-01T08:15:57Z 2021-09-01T08:15:57Z 2021
dc.description peer-reviewed en_US
dc.description.abstract In this work, we report the synthesis and structural characterisation of the ligand 2(pyridin-3-yl)-benzo [de]isoquinoline-1,3(2H)-dione, 5, its isostructural Werner complexes ML4(NCS)2 (L = 5; M = Co(II) and Ni (II)), and five clathrates with three aromatic guests, ML4(NCS)2·2G (M = Co(II) and Ni(II), G = nitrobenzene (NB); M = Co, G = 1,2 dichlorobenzene (1,2-DCB); M = Co(II) and Ni(II), G = o-xylene (OX)). 5 was pre-pared in high yield by condensation in the solid-state (C3S3, Cocrystal Controlled Solid-State Synthesis). The Werner complexes ML4(NCS)2 (M = Co(II) and Ni(II)) (apohosts) were prepared by reacting M(NCS)2 (M = Co(II) and Ni(II)) and 5 in 1-butanol at 60 °C for 24 h. The Werner clathrates were prepared by reacting M(NCS)2 (M = Co(II) and Ni(II)), G and 5 in 1-butanol at 60 °C for 48–96 h. The clathrates were observed to transform to the apohost ML4(NCS)2 upon heating. CoL4(NCS)2·2NB was subsequently regenerated by exposing CoL4(NCS)2 to liquid NB at 60 °C for 48 h. This phase change occurred as a single-crystal to single-crystal phase transformation and was studied by single crystal X-ray diffraction, powder X-ray diffraction and thermal analyses. Structural analyses of the apohost CoL4(NCS)2 and its Werner clathrate CoL4(NCS)2·2NB indicated that rotational freedom of the Co-N bonds together with torsional flexibility of the ligand between the imide bond and the pyridine moiety are key to enabling the structural switching induced by exposure to NB or its removal en_US
dc.language.iso eng en_US
dc.publisher The Royal Society of Chemistry en_US
dc.relation E-26/202.629/2019 en_US
dc.relation.ispartofseries Dalton Transactions;
dc.subject synthesis en_US
dc.subject apohost en_US
dc.title Reversible single-crystal to single-crystal phase transformation between a new werner clathrate and its apohost† en_US
dc.type info:eu-repo/semantics/article en_US
dc.type.supercollection all_ul_research en_US
dc.type.supercollection ul_published_reviewed en_US
dc.identifier.doi 10.1039/d1dt01839f
dc.contributor.sponsor SFI en_US
dc.contributor.sponsor European Union (EU) en_US
dc.contributor.sponsor CNPq (Conselho Nacional de Desenvolvimento Científico e Tecnológico – en_US
dc.relation.projectid 16/IA/B2549, MJZ en_US
dc.relation.projectid ADG 885695,MJZ en_US
dc.relation.projectid 313799/2017-2 en_US
dc.rights.accessrights info:eu-repo/semantics/openAccess en_US

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