dc.contributor.author | Mailman, Aaron | |
dc.contributor.author | Puttreddy, Rakesh | |
dc.contributor.author | Lahtinen, Manu | |
dc.contributor.author | Svahn, Noora | |
dc.contributor.author | Rissanen, Kari | |
dc.date.accessioned | 2020-08-07T07:09:50Z | |
dc.date.available | 2020-08-07T07:09:50Z | |
dc.date.issued | 2020 | |
dc.identifier.citation | Mailman, A., Puttreddy, R., Lahtinen, M., Svahn, N., & Rissanen, K. (2020). Hydrogen and Halogen Bond Mediated Coordination Polymers of Chloro-Substituted Pyrazin-2-Amine Copper(I) Bromide Complexes. <i>Chemistry</i>, <i>2</i>(3), 700-713. <a href="https://doi.org/10.3390/chemistry2030045" target="_blank">https://doi.org/10.3390/chemistry2030045</a> | |
dc.identifier.other | CONVID_41703092 | |
dc.identifier.uri | https://jyx.jyu.fi/handle/123456789/71366 | |
dc.description.abstract | A new class of six mono- (1; 3-Cl-, 2; 5-Cl-, 3; 6-Cl-) and di-(4; 3,6-Cl, 5; 5,6-Cl-, 6; 3,5-Cl-) chloro-substituted pyrazin-2-amine ligands (1–6) form complexes with copper (I) bromide, to give 1D and 2D coordination polymers through a combination of halogen and hydrogen bonding that were characterized by X-ray diffraction analysis. These Cu(I) complexes were prepared indirectly from the ligands and CuBr2 via an in situ redox process in moderate to high yields. Four of the pyrazine ligands, 1, 4–6 were found to favor a monodentate mode of coordination to one CuI ion. The absence of a C6-chloro substituent in ligands 1, 2 and 6 supported N1–Cu coordination over the alternative N4–Cu coordination mode evidenced for ligands 4 and 5. These monodentate systems afforded predominantly hydrogen bond (HB) networks containing a catenated (μ3-bromo)-CuI ‘staircase’ motif, with a network of ‘cooperative’ halogen bonds (XB), leading to infinite polymeric structures. Alternatively, ligands 2 and 3 preferred a μ2-N,N’ bridging mode leading to three different polymeric structures. These adopt the (μ3-bromo)-CuI ‘staircase’ motif observed in the monodentate ligands, a unique single (μ2-bromo)-CuI chain, or a discrete Cu2Br2 rhomboid (μ2-bromo)-CuI dimer. Two main HB patterns afforded by self-complimentary dimerization of the amino pyrazines described by the graph set notation R22(8) and non-cyclic intermolecular N–H∙∙∙N’ or N–H∙∙∙Br–Cu leading to infinite polymeric structures are discussed. The cooperative halogen bonding between C–Cl∙∙∙Cl–C and the C–Cl∙∙∙Br–Cu XB contacts are less than the sum of the van der Waals radii of participating atoms, with the latter ranging from 3.4178(14) to 3.582(15) Å. In all cases, the mode of coordination and pyrazine ring substituents affect the pattern of HBs and XBs in these supramolecular structures. | en |
dc.format.mimetype | application/pdf | |
dc.language | eng | |
dc.language.iso | eng | |
dc.publisher | MDPI AG | |
dc.relation.ispartofseries | Chemistry | |
dc.rights | CC BY 4.0 | |
dc.subject.other | halogeenisidokset | |
dc.subject.other | hydrogen bond | |
dc.subject.other | halogen bond | |
dc.subject.other | pyrazine | |
dc.subject.other | chloropyrazine | |
dc.subject.other | chloropyrazin-2-amine | |
dc.subject.other | copper halide | |
dc.title | Hydrogen and Halogen Bond Mediated Coordination Polymers of Chloro-Substituted Pyrazin-2-Amine Copper(I) Bromide Complexes | |
dc.type | article | |
dc.identifier.urn | URN:NBN:fi:jyu-202008075510 | |
dc.contributor.laitos | Kemian laitos | fi |
dc.contributor.laitos | Department of Chemistry | en |
dc.contributor.oppiaine | Orgaaninen kemia | fi |
dc.contributor.oppiaine | Soveltavan kemian yksikkö | fi |
dc.contributor.oppiaine | Epäorgaaninen ja analyyttinen kemia | fi |
dc.contributor.oppiaine | Organic Chemistry | en |
dc.contributor.oppiaine | The Unit of Applied Chemistry | en |
dc.contributor.oppiaine | Inorganic and Analytical Chemistry | en |
dc.type.uri | http://purl.org/eprint/type/JournalArticle | |
dc.type.coar | http://purl.org/coar/resource_type/c_2df8fbb1 | |
dc.description.reviewstatus | peerReviewed | |
dc.format.pagerange | 700-713 | |
dc.relation.issn | 2624-8549 | |
dc.relation.numberinseries | 3 | |
dc.relation.volume | 2 | |
dc.type.version | publishedVersion | |
dc.rights.copyright | © 2020 by the authors. Licensee MDPI, Basel, Switzerland | |
dc.rights.accesslevel | openAccess | fi |
dc.relation.grantnumber | 659123 | |
dc.relation.grantnumber | 659123 | |
dc.relation.grantnumber | 298817 | |
dc.relation.grantnumber | 289172 | |
dc.relation.projectid | info:eu-repo/grantAgreement/EC/H2020/659123/EU// | |
dc.subject.yso | kemialliset sidokset | |
dc.subject.yso | vetysidokset | |
dc.subject.yso | halogeenit | |
dc.format.content | fulltext | |
jyx.subject.uri | http://www.yso.fi/onto/yso/p10130 | |
jyx.subject.uri | http://www.yso.fi/onto/yso/p38131 | |
jyx.subject.uri | http://www.yso.fi/onto/yso/p4164 | |
dc.rights.url | https://creativecommons.org/licenses/by/4.0/ | |
dc.relation.doi | 10.3390/chemistry2030045 | |
dc.relation.funder | European Commission | en |
dc.relation.funder | Research Council of Finland | en |
dc.relation.funder | Research Council of Finland | en |
dc.relation.funder | Euroopan komissio | fi |
dc.relation.funder | Suomen Akatemia | fi |
dc.relation.funder | Suomen Akatemia | fi |
jyx.fundingprogram | MSCA Marie Skłodowska-Curie Actions, H2020 | en |
jyx.fundingprogram | Postdoctoral Researcher, AoF | en |
jyx.fundingprogram | Academy Project, AoF | en |
jyx.fundingprogram | MSCA Marie Skłodowska-Curie Actions, H2020 | fi |
jyx.fundingprogram | Tutkijatohtori, SA | fi |
jyx.fundingprogram | Akatemiahanke, SA | fi |
jyx.fundinginformation | This work was financially supported by the Academy of Finland (projects 298817 and 289172), the University of Jyväskylä, and in part by the European Union’s H2020 program, under the Marie Skłodowska-Curie grant agreement 659123 for A.M. | |
dc.type.okm | A1 | |