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master's thesis
Strukturna i magnetska analiza koordinacijskih spojeva bakra(II) s L-homoserinom i 1,10-fenantrolinom u čvrstom stanju
Zagreb: University of Zagreb, Faculty of Science, 2021. urn:nbn:hr:217:928826
Šimunović, Marta
University of Zagreb
Faculty of Science
Department of Chemistry

Institutional repository: Repository of the Faculty of Science

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Šimunović, M. (2021). Strukturna i magnetska analiza koordinacijskih spojeva bakra(II) s L-homoserinom i 1,10-fenantrolinom u čvrstom stanju (Master's thesis). Zagreb: University of Zagreb, Faculty of Science. Retrieved from https://urn.nsk.hr/urn:nbn:hr:217:928826

Šimunović, Marta. "Strukturna i magnetska analiza koordinacijskih spojeva bakra(II) s L-homoserinom i 1,10-fenantrolinom u čvrstom stanju." Master's thesis, University of Zagreb, Faculty of Science, 2021. https://urn.nsk.hr/urn:nbn:hr:217:928826

Šimunović, Marta. "Strukturna i magnetska analiza koordinacijskih spojeva bakra(II) s L-homoserinom i 1,10-fenantrolinom u čvrstom stanju." Master's thesis, University of Zagreb, Faculty of Science, 2021. https://urn.nsk.hr/urn:nbn:hr:217:928826

Šimunović, M. (2021). 'Strukturna i magnetska analiza koordinacijskih spojeva bakra(II) s L-homoserinom i 1,10-fenantrolinom u čvrstom stanju', Master's thesis, University of Zagreb, Faculty of Science, accessed 20 November 2024, https://urn.nsk.hr/urn:nbn:hr:217:928826

Šimunović M. Strukturna i magnetska analiza koordinacijskih spojeva bakra(II) s L-homoserinom i 1,10-fenantrolinom u čvrstom stanju [Master's thesis]. Zagreb: University of Zagreb, Faculty of Science; 2021 [cited 2024 November 20] Available at: https://urn.nsk.hr/urn:nbn:hr:217:928826

M. Šimunović, "Strukturna i magnetska analiza koordinacijskih spojeva bakra(II) s L-homoserinom i 1,10-fenantrolinom u čvrstom stanju", Master's thesis, University of Zagreb, Faculty of Science, Zagreb, 2021. Available at: https://urn.nsk.hr/urn:nbn:hr:217:928826

Metadata
TitleStrukturna i magnetska analiza koordinacijskih spojeva bakra(II) s L-homoserinom i 1,10-fenantrolinom u čvrstom stanju
Title (english)Structural and magnetic analysis of copper(II) coordination compounds with L-homoserine and 1,10-phenanthroline in solid state
AuthorMarta Šimunović
MentorBiserka Prugovečki (mentor)
MentorDijana Žilić (mentor)
Committee memberIva Juranović Cindrić (predsjednik povjerenstva)
Committee memberDubravka Matković-Čalogović (član povjerenstva)
Committee memberBiserka Prugovečki (član povjerenstva)
Committee memberInes Primožič (član povjerenstva)
GranterUniversity of Zagreb
Faculty of Science
(Department of Chemistry)
Zagreb
Defense date and country2021-02-26, Croatia
Scientific / art field,
discipline and subdiscipline		NATURAL SCIENCES
Chemistry
Abstract
Analizirani su trans-Cu(μ-L-Hser)(L-Hser)n (1), [Cu(L-Hser)(H2O)(phen)]2SO4·6H2O (2) i {[Cu(μ-L-Hser)(H2O)(phen)][Cu(μ-L-Hser)(phen)]SO4·6H2O}n (3) (L-Hser = L-homoserinat, phen = 1,10-fenantrolin). Rendgenskom difrakcijom na jediničnom kristalu pokazano je da su 1 i 3 1D koordinacijski polimeri s bakrovim(II) atomima premošćenim preko hidroksilne (1) ili karboksilatne skupine (3) L-homoserinata dok spoj 2 sadrži diskretne komplekse. Koordinacijski poliedar u kompleksu 1 je kvadratna piramida. Asimetrijska jedinica spojeva 2 i 3 sadrži četiri kompleksna kationa, dva sulfatna aniona i 12 kristalizacijskih molekula vode. Koordinacijski poliedar u svim kompleksnim kationima spoja 2 te u tri kompleksna kationa spoja 3 je kvadratna piramida dok je u četvrtom kompleksnom kationu spoja 3 izduženi oktaedar. Elektronskom paramagnetskom rezonancijom (EPR) i računalnim simulacijama dobiva se za g-tenzor bakrovog nesparenog elektrona 𝑔𝑥 ≈𝑔𝑦< 𝑔𝑧 što znači da je nespareni elektron lokaliziran u 𝑑𝑥2−𝑦2 orbitali u svim kompleksima. EPR rezultati upućuju na tri moguće lokalne geometrije oko bakra(II), izduženi oktaedar, kvadratnu piramidu ili kvadratnu planarnu. Istraživani kompleksi pokazuju paramagnetsko ponašanje.
Abstract (english)
Compounds trans-Cu(μ-L-Hser)(L-Hser)n (1), [Cu(L-Hser)(H2O)(phen)]2SO4·6H2O (2) and {[Cu(μ-L-Hser)(H2O)(phen)][Cu(μ-L-Hser)(phen)]SO4·6H2O}n (3) (L-Hser = L-homoserinate, phen =1,10-phenanthroline) were analysed. Single-crystal X-ray diffraction has shown that 1 and 3 are 1D coordination polymers with copper(II) atoms bridged by the hydroxyl (1) or the carboxylate group (3) of L-homoserinate while 2 is discrete complex. Coordination polyhedron of complex 1 is square pyramid. The asymmetric unit of compounds 2 and 3 is composed of four symmetrically independent complex cations, two sulfate anions and 12 crystallization water molecules. Coordination polyhedra in all symmetrically independent complex cations in 2 and in three complex cations in 3 is a square pyramid, while the coordination polyhedron in the fourth cation in 3 is an elongated octahedron. Electron paramagnetic resonance (EPR) and computer simulations gave the g-tensor of the copper unpaired electron, gx ≈ gy < gz pointing that the unpaired electron is localized in the 𝑑𝑥2−𝑦2 orbital in all complexes. EPR results indicate three possible local geometries around copper(II)- an elongated octahedron, square pyramid or square planar. All complexes demonstrate paramagnetic behaviour.
Keywords
Keywords (english)
Languagecroatian
URN:NBNurn:nbn:hr:217:928826
ProjectNumber: IP-2018-01-3168
Title: Studija važnosti spinskih međudjelovanja kao osnova za nove pristupe u istraživanju materijala
Acronym: SPES
Leader: Marina Ilakovac-Kveder
Jurisdiction: Croatia
Funder: HRZZ
Funding stream: IP
ProjectNumber: IP-2014-09-4274
Title: Esencijalni metalni ioni u proteinima iz Heliobacter pylori i modelnim spojevima-struktura u funkcija/svojstvo
Title: Essential metal ions in Helicobacter pylori proteins and model complexes – structure and function/property
Acronym: ProtModStruct
Leader: Dubravka Matković-Čalogović
Jurisdiction: Croatia
Funder: HRZZ
Funding stream: IP
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
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Created on2021-03-17 12:06:03