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dc.contributor.authorLimberg, Niklas
dc.contributor.authorRautiainen, J. Mikko
dc.contributor.authorLundell, Jan
dc.contributor.authorRiedel, Sebastian
dc.contributor.authorRissanen, Kari
dc.contributor.authorPuttreddy, Rakesh
dc.date.accessioned2024-11-12T10:53:16Z
dc.date.available2024-11-12T10:53:16Z
dc.date.issued2024
dc.identifier.citationLimberg, N., Rautiainen, J. M., Lundell, J., Riedel, S., Rissanen, K., & Puttreddy, R. (2024). Dichlorine–pyridine <i>N</i>-oxide halogen-bonded complexes. <i>Chemical Science</i>, <i>Early online</i>. <a href="https://doi.org/10.1039/d4sc06270a" target="_blank">https://doi.org/10.1039/d4sc06270a</a>
dc.identifier.otherCONVID_243807699
dc.identifier.urihttps://jyx.jyu.fi/handle/123456789/98285
dc.description.abstractA new Cl–Cl···−O–N+ halogen-bonded paradigm has been demonstrated, using dichlorine as a halogen bond (XB) donor and N-oxide as an XB acceptor. Their crystalline complexes were formed during the warm-up process from −196 °C to −80 °C for X-ray diffraction analysis. They exhibit high instability in the crystalline state, even at these low temperatures, leading to rapid decomposition and the formation of Cl⋯H–O–N hydrogen-bonded complexes. The normalized XB interaction ratio (RXB) of Cl⋯O interactions in the solid-state demonstrates affinity comparable to traditional I⋯O interactions observed in I–I···−O–N+ halogen-bonded systems. The Cl–Cl⋯O XB angles vary from 172° to 177°, manifesting the structure-guiding influence of the electronegative chlorine atom's σ-hole on these XB interactions.en
dc.format.mimetypeapplication/pdf
dc.language.isoeng
dc.publisherRoyal Society of Chemistry
dc.relation.ispartofseriesChemical Science
dc.rightsCC BY 4.0
dc.titleDichlorine–pyridine pyridine N-oxide halogen-bonded complexes
dc.typearticle
dc.identifier.urnURN:NBN:fi:jyu-202411127131
dc.contributor.laitosKemian laitosfi
dc.contributor.laitosDepartment of Chemistryen
dc.type.urihttp://purl.org/eprint/type/JournalArticle
dc.type.coarhttp://purl.org/coar/resource_type/c_2df8fbb1
dc.description.reviewstatuspeerReviewed
dc.relation.issn2041-6520
dc.relation.volumeEarly online
dc.type.versionpublishedVersion
dc.rights.copyright© 2024 The Author(s). Published by the Royal Society of Chemistry
dc.rights.accesslevelopenAccessfi
dc.relation.grantnumber351121
dc.relation.grantnumber338733
dc.relation.grantnumber332023
dc.subject.ysokemialliset reaktiot
dc.subject.ysohalogeenit
dc.format.contentfulltext
jyx.subject.urihttp://www.yso.fi/onto/yso/p3658
jyx.subject.urihttp://www.yso.fi/onto/yso/p4164
dc.rights.urlhttps://creativecommons.org/licenses/by/4.0/
dc.relation.doi10.1039/d4sc06270a
dc.relation.funderResearch Council of Finlanden
dc.relation.funderResearch Council of Finlanden
dc.relation.funderResearch Council of Finlanden
dc.relation.funderSuomen Akatemiafi
dc.relation.funderSuomen Akatemiafi
dc.relation.funderSuomen Akatemiafi
jyx.fundingprogramAcademy Project, AoFen
jyx.fundingprogramAcademy Project, AoFen
jyx.fundingprogramAcademy Project, AoFen
jyx.fundingprogramAkatemiahanke, SAfi
jyx.fundingprogramAkatemiahanke, SAfi
jyx.fundingprogramAkatemiahanke, SAfi
jyx.fundinginformationThe authors gratefully acknowledge financial support from the Research Council of Finland [grant number 351121 (KR), 332023 (JL), and 338733 (JMR)]. The work was also funded by the European Research Council (ERC) Project HighPotOx (ID: 818862) (SR). We gratefully acknowledge the assistance of the Core Facility BioSupraMol at FU Berlin which is supported by the DFG.
dc.type.okmA1


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