prikaz prve stranice dokumenta Kompleksiranje metalnih kationa s polipiridinskim makrocikličkim sustavima
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master's thesis
Kompleksiranje metalnih kationa s polipiridinskim makrocikličkim sustavima
Zagreb: University of Zagreb, Faculty of Science, 2022. urn:nbn:hr:217:659160
Mađarić, Rebecca
University of Zagreb
Faculty of Science
Department of Chemistry

Institutional repository: Repository of the Faculty of Science

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Mađarić, R. (2022). Kompleksiranje metalnih kationa s polipiridinskim makrocikličkim sustavima (Master's thesis). Zagreb: University of Zagreb, Faculty of Science. Retrieved from https://urn.nsk.hr/urn:nbn:hr:217:659160

Mađarić, Rebecca. "Kompleksiranje metalnih kationa s polipiridinskim makrocikličkim sustavima." Master's thesis, University of Zagreb, Faculty of Science, 2022. https://urn.nsk.hr/urn:nbn:hr:217:659160

Mađarić, Rebecca. "Kompleksiranje metalnih kationa s polipiridinskim makrocikličkim sustavima." Master's thesis, University of Zagreb, Faculty of Science, 2022. https://urn.nsk.hr/urn:nbn:hr:217:659160

Mađarić, R. (2022). 'Kompleksiranje metalnih kationa s polipiridinskim makrocikličkim sustavima', Master's thesis, University of Zagreb, Faculty of Science, accessed 22 November 2024, https://urn.nsk.hr/urn:nbn:hr:217:659160

Mađarić R. Kompleksiranje metalnih kationa s polipiridinskim makrocikličkim sustavima [Master's thesis]. Zagreb: University of Zagreb, Faculty of Science; 2022 [cited 2024 November 22] Available at: https://urn.nsk.hr/urn:nbn:hr:217:659160

R. Mađarić, "Kompleksiranje metalnih kationa s polipiridinskim makrocikličkim sustavima", Master's thesis, University of Zagreb, Faculty of Science, Zagreb, 2022. Available at: https://urn.nsk.hr/urn:nbn:hr:217:659160

Metadata
TitleKompleksiranje metalnih kationa s polipiridinskim makrocikličkim sustavima
Title (english)Complexation of metal cations with polypyridine macrocyclic compounds
AuthorRebecca Mađarić
MentorInes Despotović (mentor)
Committee memberTomica Hrenar (predsjednik povjerenstva)
Committee memberIvan Kodrin (član povjerenstva)
Committee memberŽeljka Soldin (član povjerenstva)
Committee memberGordan Horvat (član povjerenstva)
GranterUniversity of Zagreb
Faculty of Science
(Department of Chemistry)
Zagreb
Defense date and country2022-09-27, Croatia
Scientific / art field,
discipline and subdiscipline		NATURAL SCIENCES
Chemistry
Abstract
Makrociklički ligandi posjeduju svojstvo selektivnog vezanja metalnih kationa što ih čini potencijalno korisnim u mnogim područjima (transport iona, priprava kemijskih senzora, mimikrija metaloenzima i kataliza). Posebnu paţnju privlače strukture s piridinskom podjedinicom kao graĎevnim elementom. U ovom diplomskom radu istraţeno je kompleksiranje kationa alkalijskih i zemnoalkalijskih metala s polipiridinskim makrocikličkim sustavima korištenjem računalne kvantno-kemijske DFT metode. Optimizirane su strukture makrocikličkih liganada i njihovih kompleksa te odreĎeni termodinamički parametri kompleksiranja u plinovitoj fazi i otapalu acetonitrila. Na taj način dan je uvid u selektivnost navedenih spojeva prema ispitivanim kationima. Korištenjem QTAIM metode procijenjena je priroda i jačina novonastalih koordinacijskih veza u molekulama kompleksa. Ispitivani makrociklički sustavi izrazito su efikasni i vrlo selektirajući ligandi.
Abstract (english)
Macrocyclic ligands have the property of selectively binding metal cations, which makes them potentially useful in many areas (ion transport, chemical sensor fabrication, metalloenzyme mimicry, and catalysis). Structures with a pyridine subunit as a building block attract particular attention. In this work, the complexation of alkali and alkaline earth metal cations with macrocyclic polypyridine systems was studied using the computational DFT method. The structures of the macrocyclic ligands and their complexes were optimized and the thermodynamic parameters of the complexation in the gas phase and in the solvent acetonitrile were determined. In this way, an insight into the selectivity of the mentioned compounds with respect to the examined cations was provided. The QTAIM method was used to evaluate the nature and strength of the newly formed coordination bonds in the molecules of the complex. Studied macrocyclic systems are extremely efficient and highly selective ligands
Keywords
Keywords (english)
Languagecroatian
URN:NBNurn:nbn:hr:217:659160
Study programmeTitle: Graduate university studies in chemistry; specializations in: Research programme
Course: Research programme
Study programme type: university
Study level: graduate
Academic / professional title: magistar/magistra kemije (magistar/magistra kemije)
Type of resourceText
File originBorn digital
Access conditionsOpen access
Embargo expiration date: 2024-09-27
Terms of useLicence In copyright icon
Created on2022-10-21 09:45:18