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dc.contributor.authorPuttreddy, Rakesh
dc.contributor.authorPeuronen, Anssi
dc.contributor.authorLahtinen, Manu
dc.contributor.authorRissanen, Kari
dc.date.accessioned2019-07-05T05:35:26Z
dc.date.available2020-05-31T21:35:12Z
dc.date.issued2019
dc.identifier.citationPuttreddy, R., Peuronen, A., Lahtinen, M., & Rissanen, K. (2019). Metal-bound Nitrate Anion as an Acceptor for Halogen Bonds in mono-Halopyridine-Copper(II) nitrate Complexes. <i>Crystal Growth and Design</i>, <i>19</i>(7), 3815-3824. <a href="https://doi.org/10.1021/acs.cgd.9b00284" target="_blank">https://doi.org/10.1021/acs.cgd.9b00284</a>
dc.identifier.otherCONVID_30883326
dc.identifier.otherTUTKAID_81590
dc.identifier.urihttps://jyx.jyu.fi/handle/123456789/64994
dc.description.abstractFifteen n-halopyridine-Cu(NO3)2 complexes (n = 2, 3, 4) obtained from two different solvents, acetonitrile and ethanol, are investigated for C–X···O–N halogen bonds (XBs) in the solid state by single and powder X-ray diffraction. The nitrate anions bind copper(II) via anisobidentate modes and one of three oxygens act as an XB acceptor to halogens on the core pyridine rings. The N-metal coordination activates the electron-deficient π-system and triggers even C2- and C4-chlorines in the corresponding [Cu(2-chloropyridine)2(NO3)2] and [Cu(4-chloropyridine)2(NO3)2(ACN)] complexes to form short C–Cl2/Cl4···O–N halogen bonds. Notably, the C2–Cl2···O–N XBs with a normalized XB distance parameter (RXB) of 0.89 is close to C2–I2···O–N XBs [RXB = 0.88] in the [Cu(2-iodopyridine)2(NO3)2] complex. In overall, the C–X···O–N halogen bonds in the studied complexes range from moderately short to roughly the van der Waals contact distance of the respective X···O atoms (RXB = 0.88–0.99) and have a varying significance in governing the molecular packing respective of the complex. Among the studied complexes, two main coordination modes were observed—distorted octahedral and distorted pentagonal bipyramid—of which the latter results from the coordination of acetonitrile to the Cu(II) ion. The crystal structures showed that the steric bulk of C2-halogens in 2-halopyridines prevent this, while in similar conditions the 3- and 4-halopyridine ligands yield acetonitrile bound Cu(II)-complexes.fi
dc.format.mimetypeapplication/pdf
dc.language.isoeng
dc.publisherAmerican Chemical Society
dc.relation.ispartofseriesCrystal Growth and Design
dc.rightsIn Copyright
dc.subject.otherhalogen bonds
dc.titleMetal-bound Nitrate Anion as an Acceptor for Halogen Bonds in mono-Halopyridine-Copper(II) nitrate Complexes
dc.typearticle
dc.identifier.urnURN:NBN:fi:jyu-201907043580
dc.contributor.laitosKemian laitosfi
dc.contributor.laitosDepartment of Chemistryen
dc.contributor.oppiaineEpäorgaaninen ja analyyttinen kemiafi
dc.contributor.oppiaineOrgaaninen kemiafi
dc.contributor.oppiaineInorganic and Analytical Chemistryen
dc.contributor.oppiaineOrganic Chemistryen
dc.type.urihttp://purl.org/eprint/type/JournalArticle
dc.date.updated2019-07-04T15:15:07Z
dc.description.reviewstatuspeerReviewed
dc.format.pagerange3815-3824
dc.relation.issn1528-7483
dc.relation.numberinseries7
dc.relation.volume19
dc.type.versionacceptedVersion
dc.rights.copyright© 2019 American Chemical Society
dc.rights.accesslevelopenAccessfi
dc.relation.grantnumber298817
dc.format.contentfulltext
dc.rights.urlhttp://rightsstatements.org/page/InC/1.0/?language=en
dc.relation.doi10.1021/acs.cgd.9b00284
dc.relation.funderSuomen Akatemiafi
dc.relation.funderAcademy of Finlanden
jyx.fundingprogramTutkijatohtori, SAfi
jyx.fundingprogramPostdoctoral Researcher, AoFen


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