Naslov
The oxime moiety in metal-organic systems: The cadmium(II) study case

Autori
Kodrin, Ivan ; Barbarić, Vedran ; Đaković, Marijana

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni

Izvornik
ECS3 : 3rd European Crystallography School - Book of Abstracts / Popović, Jasminka ; Višnjevac, Aleksandar - Zagreb : Hrvatska udruga kristalografa, 2016, 32-32

Skup
3rd European Crystallography School

Mjesto i datum
Bol, Hrvatska, 25.09.2016. - 02.10.2016

Vrsta sudjelovanja
Poster

Vrsta recenzije
Međunarodna recenzija

Ključne riječi
oximes ; cadmium(II) complexes ; molecular electrostatic potential

Sažetak
Our research is mainly focused on the idea of transferability of same or alike supramolecular motifs from organic to metal-organic systems. Here we have found the oxime moiety a promising supramolecular connector for that purpose due to its easily achieved tunability.1 To be used as a connector for metal-organic building blocks, we firstly equipped the oxime moiety with the pyridyl backbone to provide it with coordinating power thus leaving the oxime functionality unaffected and ready to form the same type of interactions as in pure organic systems. Furthermore, we opted for CdX2 systems as these are known to form 1-D polymeric structures and consequently reduce the dimensionality of supramolecular interactions that needs to be controlled. Hirshfeld surface analysis and detailed computational study, in addition to our structure determination results complemented by data mining, allowed us to get additional insight into intermolecular interactions responsible for the assembly of 1- D building blocks and transferability of the oxime motifs to these systems. Furthermore, by comparison of molecular electrostatic potential (MEP) maps and the calculated interaction energies between pairs of molecules we were able to identify the most prominent interactions.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

POVEZANOST RADA