Naslov
The impact of the secondary amide substitution on polymerization in pyridine-based complexes of Cd(II)

Autori
Kodrin, Ivan ; Kukovec, Boris-Marko ; Matijaković, Nives ; Đaković, Marijana

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

Izvornik
International School of Crystallography - Programme, Lecture Notes & Poster Abstracts / - , 2015, 303-303

Skup
Engineering Crystallography: from Molecule to Crystal to Functional Form - 48th Course

Mjesto i datum
Erice, Italija, 05.06.2015. - 14.06.2015

Vrsta sudjelovanja
Poster

Vrsta recenzije
Međunarodna recenzija

Ključne riječi
seconday amide ; polymerization ; pyridine-based ; cadmium

Sažetak
The design of new materials is one of the most challenging tasks in science today. The understanding of the structure-property relationship is crucial, not just for the successful development of new materials, but also in giving answers to some of the most interesting problems that modern chemistry is facing today. The impact of intermolecular interactions on subtle changes in three- dimensional packing of molecules is often studied in material science. The utilization of experimental and computational techniques seems to be a promising way to answer some of the asked questions. Following the same idea, we have decided to confine our research on cadmium-based metal complexes including halide counter-ions and functionalized pyridine-based ligands. These systems might form polymeric chains capable of acting as supramolecular synthons. Slight variations of chemical structures by engagement of different substituents on pyridine ring affecting their electronic and steric properties might influence, not just the non-covalent interactions between the synthons, but also their propagation from oligomers to polymeric chains. Therefore, we report on synthesis of pyridine-based ligands substituted in positions 3 and 4 with the secondary amide groups and crystallization procedures to obtain the X-ray quality single crystals. The polymerization of the complexes as well as their spectral and thermal characterization is also discussed. The single crystal X-ray structure analysis revealed the existence of supramolecular building blocks composed of oligomeric units as well as polymeric chains. A computational study including QTAIM analysis helped us in detailed analysis of the relevant intermolecular interactions and in further rationalization of polymerization processes.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

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