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New Theoretical Insight into Fluorination and Fluorine–Fluorine Interactions as a Driving Force in Crystal Structures
dc.creator | Janjić, Goran | |
dc.creator | Jelić, Stefan | |
dc.creator | Trišović, Nemanja | |
dc.creator | Popović, Dragan | |
dc.creator | Đorđević, Ivana | |
dc.creator | Milčić, Miloš | |
dc.date.accessioned | 2020-11-30T07:39:10Z | |
dc.date.available | 2020-11-30T07:39:10Z | |
dc.date.issued | 2020 | |
dc.identifier.issn | 1528-7483 | |
dc.identifier.uri | https://cer.ihtm.bg.ac.rs/handle/123456789/3882 | |
dc.description.abstract | Fluorination of compounds causes an increase in the proton-donating ability and a decrease in the proton-accepting capacity of groups in their vicinity. The formation of F···F interactions is followed by the shift of the electron density in the area of F···F contact, which creates a new region with a larger surface area, a higher negative potential, and, hence, a more pronounced accepting ability. The new region also has a greater ability to form multiple (simultaneous) interactions with species from the environment, thus compensating for the reduction of the accepting capacity of the groups in the vicinity. This phenomenon explains not only the abundance of F···F interactions in crystal structures, but also a large number of structures with F···O interactions. Only C–H···F interactions are more numerous than F···F interactions in crystal structures, which indicates a high affinity of fluorinated compounds for nonpolar groups. | en |
dc.language.iso | en | sr |
dc.publisher | American Chemical Society (ACS) | sr |
dc.relation | info:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172035/RS// | sr |
dc.relation | info:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172023/RS// | sr |
dc.relation | info:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/171017/RS// | sr |
dc.rights | restrictedAccess | sr |
dc.source | Crystal Growth and Design | sr |
dc.subject | Fluorination | sr |
dc.subject | Fluorine–Fluorine Interactions | sr |
dc.subject | Crystal Structures | sr |
dc.title | New Theoretical Insight into Fluorination and Fluorine–Fluorine Interactions as a Driving Force in Crystal Structures | en |
dc.type | article | sr |
dc.rights.license | ARR | sr |
dcterms.abstract | Ђорђевић, Ивана С.; Јелић, Стефан Т.; Милчић, Милош К.; Тришовић, Немања П.; Поповић, Драган М.; Јањић, Горан В.; | |
dc.rights.holder | American Chemical Society (ACS) | sr |
dc.citation.volume | 20 | |
dc.citation.issue | 5 | |
dc.citation.spage | 2943 | |
dc.citation.epage | 2951 | |
dc.citation.rank | M21~ | |
dc.identifier.doi | 10.1021/acs.cgd.9b01565 | |
dc.identifier.scopus | 2-s2.0-85085149156 | |
dc.identifier.wos | 000535174000017 | |
dc.type.version | publishedVersion | sr |