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dc.contributor.authorDing Xin
dc.contributor.authorTuikka Matti
dc.contributor.authorHirva Pipsa
dc.contributor.authorHaukka Matti
dc.date.accessioned2017-10-17T12:21:19Z
dc.date.available2017-10-17T12:21:19Z
dc.date.issued2017
dc.identifier.urihttps://erepo.uef.fi/handle/123456789/4403
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.en
dc.language.isoENen
dc.publisherElsevier BVen
dc.relation.ispartofseriesSolid State Sciencesen
dc.relation.urihttp://dx.doi.org/10.1016/j.solidstatesciences.2017.06.016en
dc.rightsCC BY-NC-ND https://creativecommons.org/licenses/by-nc-nd/4.0/en
dc.subjectHalogen bonden
dc.subjectRuen
dc.subjectIodineen
dc.subjectThiocyanateen
dc.titleHalogen bond preferences of thiocyanate ligand coordinated to Ru(II) via sulphur atomen
dc.description.versionfinal draften
dc.contributor.departmentDepartment of Chemistry, activitiesen
uef.solecris.id48972076en
dc.type.publicationinfo:eu-repo/semantics/articleen
dc.rights.accessrights© Elsevier Masson SASen
dc.relation.doi10.1016/j.solidstatesciences.2017.06.016en
dc.description.reviewstatuspeerRevieweden
dc.format.pagerange8-13en
dc.relation.issn1293-2558en
dc.relation.volume71en
dc.rights.accesslevelopenAccessen
dc.type.okmA1en
dc.type.versioninfo:eu-repo/semantics/acceptedVersionen
uef.solecris.openaccessEi


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