Halogen Bonding in New Dichloride-Cobalt(II) Complex with Iodo Substituted Chalcone Ligands

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dc.contributor.authorMasaryk, Lukášcs
dc.contributor.authorMoncol, Jáncs
dc.contributor.authorHerchel, Radovancs
dc.contributor.authorNemec, Ivancs
dc.coverage.issue5cs
dc.coverage.volume10cs
dc.date.accessioned2020-11-27T15:55:31Z
dc.date.available2020-11-27T15:55:31Z
dc.date.issued2020-05-01cs
dc.description.abstractThe synthesis and properties of new chalcone ligand 4I-L ((2E)-1-[4-(1H-imidazol-1-yl)phenyl]-3-(4-iodophenyl)prop-2-en-1-one) and tetracoordinate Co(II) complex [Co(4I-L)(2)Cl-2], (1a), are reported in this article. Upon recrystallization of 1a, the single crystals of [Co(4I-L)(4)Cl-2]center dot 2DMF center dot 3Et(2)O (1b) were obtained and crystal structure was determined using X-ray diffraction. The non-covalent interactions in 1b were thoroughly analyzed and special attention was dedicated to interactions formed by the peripheral iodine substituents. The density functional theory (DFT), atoms in molecule (AIM) and noncovalent interaction (NCI) methods and electronic localization function (ELF) calculations were used to investigate halogen bond formed between the iodine functional groups and co-crystallized molecules of diethyl ether.en
dc.formattextcs
dc.format.extent1-14cs
dc.format.mimetypeapplication/pdfcs
dc.identifier.citationCrystals. 2020, vol. 10, issue 5, p. 1-14.en
dc.identifier.doi10.3390/cryst10050354cs
dc.identifier.issn2073-4352cs
dc.identifier.other165533cs
dc.identifier.urihttp://hdl.handle.net/11012/195724
dc.language.isoencs
dc.publisherMDPIcs
dc.relation.ispartofCrystalscs
dc.relation.urihttps://www.mdpi.com/2073-4352/10/5/354cs
dc.rightsCreative Commons Attribution 4.0 Internationalcs
dc.rights.accessopenAccesscs
dc.rights.sherpahttp://www.sherpa.ac.uk/romeo/issn/2073-4352/cs
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/cs
dc.subjectdichloride cobalt complexen
dc.subjectchalconeen
dc.subjecthalogen bondingen
dc.subjectHirshfeld surfacesen
dc.titleHalogen Bonding in New Dichloride-Cobalt(II) Complex with Iodo Substituted Chalcone Ligandsen
dc.type.driverarticleen
dc.type.statusPeer-revieweden
dc.type.versionpublishedVersionen
sync.item.dbidVAV-165533en
sync.item.dbtypeVAVen
sync.item.insts2020.11.27 16:55:31en
sync.item.modts2020.11.27 16:14:19en
thesis.grantorVysoké učení technické v Brně. Středoevropský technologický institut VUT. Magneto-Optická a THz Spektroskopiecs
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