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dc.contributor.authorPuttreddy, Rakesh
dc.contributor.authorvon Essen, Carolina
dc.contributor.authorRissanen, Kari
dc.date.accessioned2018-06-05T06:35:22Z
dc.date.available2019-03-25T22:35:16Z
dc.date.issued2018
dc.identifier.citationPuttreddy, R., von Essen, C., & Rissanen, K. (2018). Halogen Bonds in Square Planar 2,5-Dihalopyridine-Copper(II) Bromide Complexes. <i>European Journal of Inorganic Chemistry</i>, <i>2018</i>(20-21), 2393-2398. <a href="https://doi.org/10.1002/ejic.201800144" target="_blank">https://doi.org/10.1002/ejic.201800144</a>
dc.identifier.otherCONVID_27971866
dc.identifier.otherTUTKAID_77188
dc.identifier.urihttps://jyx.jyu.fi/handle/123456789/58344
dc.description.abstractHalogen bonding in self-complementary 1:2 metal–ligand complexes obtained from copper(II) bromide (CuBr2) and seven 2,5-dihalopyridines were analyzed using single-crystal X-ray diffraction. All presented discrete complexes form 1D polymeric chains connected with C–X···Br–Cu halogen bonds (XB). In (2-chloro-5-X-pyridine)2·CuBr2 (X = Cl, Br, and I) only the C5-halogen and in (2-bromo-5-X-pyridine)2·CuBr2 (X = Cl, Br, and I) both C2- and C5-halogens form C–X···Br–Cu halogen bonds with the X acting as the XB donor and copper-coordinated bromide as the XB acceptor. The electron-withdrawing C2-chloride in (2-chloro-5-X-pyridine)2·CuBr2 complexes has only a minor effect on the C5–X5···Br–Cu XBs, and the X5···Br distances follow the expected order I5 < Br5 < Cl5 with RXB values of 0.91, 0.94, and 0.99, respectively. In (2-bromo-5-X-pyridine)2·CuBr2 complexes, due to the polarization of both halogens, the C2–X2···Br–Cu and C5–X5···Br–Cu RXB values are very similar [0.92–0.99] as a result of the competition between C2- and C5-halogens for XB formation. In addition to the classical halogen bonds, the square-planar CuII complexes exhibit C2–X2···Cu (X = Cl and Br) contacts perpendicular to the Br–Cu–Br plane with shorter C2–Br2···Cu than C2–Cl2···Cu contacts. These interactions induce a pseudo-octahedral geometry for CuII ions. Notably, C2–X2···Br–Cu halogen bonds and the additional C2–X2···Cu contacts are slightly enhanced by the C5-halogen electronegativity.en
dc.format.mimetypeapplication/pdf
dc.languageeng
dc.language.isoeng
dc.publisherWiley-VCH-Verl.
dc.relation.ispartofseriesEuropean Journal of Inorganic Chemistry
dc.rightsIn Copyright
dc.subject.otherintermolecular interactions
dc.subject.otherstructure elucidation
dc.titleHalogen Bonds in Square Planar 2,5-Dihalopyridine-Copper(II) Bromide Complexes
dc.typearticle
dc.identifier.urnURN:NBN:fi:jyu-201806042993
dc.contributor.laitosKemian laitosfi
dc.contributor.laitosDepartment of Chemistryen
dc.contributor.oppiaineOrgaaninen kemiafi
dc.contributor.oppiaineOrganic Chemistryen
dc.type.urihttp://purl.org/eprint/type/JournalArticle
dc.date.updated2018-06-04T06:15:27Z
dc.description.reviewstatuspeerReviewed
dc.format.pagerange2393-2398
dc.relation.issn1434-1948
dc.relation.numberinseries20-21
dc.relation.volume2018
dc.type.versionacceptedVersion
dc.rights.copyright© 2018 Wiley-VCH Verlag GmbH & Co.
dc.rights.accesslevelopenAccessfi
dc.relation.grantnumber298817
dc.subject.ysokupari
dc.subject.ysohalogeenit
dc.subject.ysokompleksiyhdisteet
dc.subject.ysobromidit
dc.format.contentfulltext
jyx.subject.urihttp://www.yso.fi/onto/yso/p19074
jyx.subject.urihttp://www.yso.fi/onto/yso/p4164
jyx.subject.urihttp://www.yso.fi/onto/yso/p30190
jyx.subject.urihttp://www.yso.fi/onto/yso/p5460
dc.rights.urlhttp://rightsstatements.org/page/InC/1.0/?language=en
dc.relation.doi10.1002/ejic.201800144
dc.relation.funderSuomen Akatemiafi
dc.relation.funderAcademy of Finlanden
jyx.fundingprogramTutkijatohtori, SAfi
jyx.fundingprogramPostdoctoral Researcher, AoFen
jyx.fundinginformationThe authors gratefully acknowledge financial support from the Academy of Finland (R. P.; grant no. 298817) and the University of Jyväskylä.


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