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dc.creatorTrišović, Nemanja
dc.creatorJelić, Stefan
dc.creatorPopović, Dragan
dc.creatorĐorđević, Ivana
dc.creatorMilčić, Miloš
dc.creatorJanjić, Goran
dc.date.accessioned2020-12-17T09:38:11Z
dc.date.available2020-12-17T09:38:11Z
dc.date.issued2020
dc.identifier.urihttps://qcrom2020.cs-campus.fr/event/
dc.identifier.urihttps://cer.ihtm.bg.ac.rs/handle/123456789/4032
dc.description.abstractThe results of the crystallographic analysis in combination with quantum chemical calculations have shown that fluorination of organic compounds causes an increase in the proton-donating ability and a decrease in the proton-accepting capacity of the groups in their neighbourhood1 . The establishment of F∙∙∙F interactions causes the electron density to shift towards the area of F∙∙∙F contact, thus creating a new region with a higher negative potential and the more pronounced accepting ability. This new region has a larger surface area and it is able to form simultaneous interactions with species from the crystal environment. This compensates the reduction of the accepting capacity of the groups in the neigbourhood of the interacting F atoms. Taking into account the formation of this new region, not only the abundance of F∙∙∙F interactions in the crystal structures (the second largest group of interactions), but also a large number of structures with F∙∙∙O interactions (third largest group of interactions) can be explained. Only the C–H∙∙∙F interactions are more numerous than F∙∙∙F interactions, indicating an increased affinity of fluorinated compounds for non-polar groups.en
dc.language.isoensr
dc.publisherCommission on Quantum Crystallography of IUCrsr
dc.relationinfo:eu-repo/grantAgreement/MESTD/inst-2020/200026/RS//sr
dc.rightsopenAccesssr
dc.sourceBook of Abstracts - Quantum Crystallography Online Meeting 2020, QCrOM2020sr
dc.subjectFluorinationsr
dc.subjectFluorine∙∙∙Fluorine Interactionsr
dc.subjectCrystal Structuressr
dc.titleFluorination as a Driving Force in Crystal Structuresen
dc.typeconferenceObjectsr
dc.rights.licenseBYsr
dcterms.abstractТришовић, Немања; Јелић, Стефан; Поповић, Драган; Милчић, Милош; Јањић, Горан; Ђорђевић, Ивана;
dc.citation.spage35
dc.identifier.fulltexthttp://cer.ihtm.bg.ac.rs/bitstream/id/18523/qcrom2020_p35.pdf
dc.type.versionpublishedVersionsr


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