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dc.contributor.authorDing, Xin
dc.contributor.authorTuikka, Matti
dc.contributor.authorHirva, Pipsa
dc.contributor.authorHaukka, Matti
dc.date.accessioned2017-08-01T11:52:58Z
dc.date.available2019-06-30T21:35:40Z
dc.date.issued2017
dc.identifier.citationDing, X., Tuikka, M., Hirva, P., & Haukka, M. (2017). Halogen bond preferences of thiocyanate ligand coordinated to Ru(II) via sulphur atom. <em>Solid State Sciences</em>, 71, 8-13. <a href="https://doi.org/10.1016/j.solidstatesciences.2017.06.016">doi:10.1016/j.solidstatesciences.2017.06.016</a>
dc.identifier.otherTUTKAID_74355
dc.identifier.urihttps://jyx.jyu.fi/handle/123456789/54966
dc.description.abstractHalogen bonding between [Ru(bpy)(CO)2(S-SCN)2] (bpy = 2,2’-bipyridine), I2 was studied by co-crystallising the metal compound and diiodine from dichloromethane. The only observed crystalline product was found to be [Ru(bpy)(CO)2(S-SCN)2]⋅I2 with only one NCS⋅⋅⋅I2 halogen bond between I2 and the metal coordinated S atom of one of the thiocyanate ligand. The dangling nitrogen atoms were not involved in halogen bonding. However, computational analysis suggests that there are no major energetic differences between the NCS⋅⋅⋅I2 and SCN⋅⋅⋅I2 bonding modes. The reason for the observed NCS⋅⋅⋅I2 mode lies most probably in the more favourable packing effects rather than energetic preferences between NCS⋅⋅⋅I2 and SCN⋅⋅⋅I2 contacts.
dc.language.isoeng
dc.publisherElsevier
dc.relation.ispartofseriesSolid State Sciences
dc.subject.otherhalogeenisidokset
dc.subject.otherhalogen bond
dc.subject.otherRu
dc.subject.otheriodine
dc.subject.otherthiocyanate
dc.subject.otherhalogens
dc.titleHalogen bond preferences of thiocyanate ligand coordinated to Ru(II) via sulphur atom
dc.typearticle
dc.identifier.urnURN:NBN:fi:jyu-201707193328
dc.contributor.laitosKemian laitosfi
dc.contributor.laitosDepartment of Chemistryen
dc.contributor.oppiaineEpäorgaaninen ja analyyttinen kemia
dc.type.urihttp://purl.org/eprint/type/JournalArticle
dc.date.updated2017-07-19T09:15:07Z
dc.type.coarjournal article
dc.description.reviewstatuspeerReviewed
dc.format.pagerange8-13
dc.relation.issn1293-2558
dc.relation.volume71
dc.type.versionacceptedVersion
dc.rights.copyright© 2017 Elsevier Masson SAS. This is a final draft version of an article whose final and definitive form has been published by Elsevier. Published in this repository with the kind permission of the publisher.
dc.rights.accesslevelopenAccessfi
dc.relation.doi10.1016/j.solidstatesciences.2017.06.016


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