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dc.contributor.authorMroczyńska, Karina
dc.contributor.authorKaczorowska, Małgorzata
dc.contributor.authorKolehmainen, Erkki
dc.contributor.authorGrubecki, Ireneusz
dc.contributor.authorPietrzak, Marek
dc.contributor.authorOśmiałowski, Borys
dc.date.accessioned2015-11-09T09:43:08Z
dc.date.available2015-11-09T09:43:08Z
dc.date.issued2015
dc.identifier.citationMroczyńska, K., Kaczorowska, M., Kolehmainen, E., Grubecki, I., Pietrzak, M., & Ośmiałowski, B. (2015). Conformational equilibrium in supramolecular chemistry: Dibutyltriuret case. <em>Beilstein Journal of Organic Chemistry</em>, 11, 2105-2116. <a href="http://dx.doi.org/10.3762/bjoc.11.227">doi:10.3762/bjoc.11.227</a>
dc.identifier.otherTUTKAID_67405
dc.identifier.urihttps://jyx.jyu.fi/handle/123456789/47604
dc.description.abstractThe association of substituted benzoates and naphthyridine dianions was used to study the complexation of dibutyltriuret. The title molecule is the simplest molecule able to form two intramolecular hydrogen bonds. The naphthyridine salt was used to break two intramolecular hydrogen bonds at a time while with the use of substituted benzoates the systematic approach to study association was achieved. Both, titrations and variable temperature measurements shed the light on the importance of conformational equilibrium and its influence on association in solution. Moreover, the associates were observed by mass spectrometry. The DFT-based computations for complexes and single bond rotational barriers supports experimental data and helps understanding the properties of multiply hydrogen bonded complexes.
dc.language.isoeng
dc.publisherBeilstein - Institut zur Foerderung der Chemischen Wissenschaften
dc.relation.ispartofseriesBeilstein Journal of Organic Chemistry
dc.subject.otherassociation
dc.subject.otherhydrogen bonding
dc.subject.otherNMR
dc.subject.otherrotamerism
dc.subject.othersupramolecular chemistry
dc.titleConformational equilibrium in supramolecular chemistry: Dibutyltriuret case
dc.typearticle
dc.identifier.urnURN:NBN:fi:jyu-201511063608
dc.contributor.laitosKemian laitosfi
dc.contributor.laitosDepartment of Chemistryen
dc.contributor.oppiaineOrgaaninen kemia
dc.type.urihttp://purl.org/eprint/type/JournalArticle
dc.date.updated2015-11-06T13:15:15Z
dc.type.coarjournal article
dc.description.reviewstatuspeerReviewed
dc.format.pagerange2105-2116
dc.relation.issn1860-5397
dc.relation.volume11
dc.type.versionpublishedVersion
dc.rights.copyright© 2015 Mroczyńska et al; licensee Beilstein-Institut. This is an Open Access article under the terms of the Creative Commons Attribution License.
dc.rights.accesslevelopenAccessfi
dc.rights.urlhttp://creativecommons.org/licenses/by/2.0/
dc.relation.doi10.3762/bjoc.11.227


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© 2015 Mroczyńska et al; licensee Beilstein-Institut. This is an Open Access article under the terms of the Creative Commons Attribution License.
Except where otherwise noted, this item's license is described as © 2015 Mroczyńska et al; licensee Beilstein-Institut. This is an Open Access article under the terms of the Creative Commons Attribution License.