Kompleksni spojevi nikla(II) s hidrazonskim ligandima: sinteza, karakterizacija i kvantno-kemijski proračuni

Friganović, Tomislav

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master's thesis

Kompleksni spojevi nikla(II) s hidrazonskim ligandima: sinteza, karakterizacija i kvantno-kemijski proračuni

Zagreb: University of Zagreb, Faculty of Science, 2016. urn:nbn:hr:217:754850

Friganović, Tomislav

University of Zagreb
Faculty of Science
Department of Chemistry

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APA 6th Edition

Friganović, T. (2016). Kompleksni spojevi nikla(II) s hidrazonskim ligandima: sinteza, karakterizacija i kvantno-kemijski proračuni (Master's thesis). Zagreb: University of Zagreb, Faculty of Science. Retrieved from https://urn.nsk.hr/urn:nbn:hr:217:754850

MLA 8th Edition

Friganović, Tomislav. "Kompleksni spojevi nikla(II) s hidrazonskim ligandima: sinteza, karakterizacija i kvantno-kemijski proračuni." Master's thesis, University of Zagreb, Faculty of Science, 2016. https://urn.nsk.hr/urn:nbn:hr:217:754850

Chicago 17th Edition

Harvard

Friganović, T. (2016). 'Kompleksni spojevi nikla(II) s hidrazonskim ligandima: sinteza, karakterizacija i kvantno-kemijski proračuni', Master's thesis, University of Zagreb, Faculty of Science, accessed 19 April 2024, https://urn.nsk.hr/urn:nbn:hr:217:754850

Vancouver

Friganović T. Kompleksni spojevi nikla(II) s hidrazonskim ligandima: sinteza, karakterizacija i kvantno-kemijski proračuni [Master's thesis]. Zagreb: University of Zagreb, Faculty of Science; 2016 [cited 2024 April 19] Available at: https://urn.nsk.hr/urn:nbn:hr:217:754850

IEEE

T. Friganović, "Kompleksni spojevi nikla(II) s hidrazonskim ligandima: sinteza, karakterizacija i kvantno-kemijski proračuni", Master's thesis, University of Zagreb, Faculty of Science, Zagreb, 2016. Available at: https://urn.nsk.hr/urn:nbn:hr:217:754850

Cite this item: https://urn.nsk.hr/urn:nbn:hr:217:754850

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Title	Kompleksni spojevi nikla(II) s hidrazonskim ligandima: sinteza, karakterizacija i kvantno-kemijski proračuni
Title (english)	Coordination complexes of nickel(II) with hydrazone ligands: synthesys, characterisation and quantum-chemical calculation
Author	Tomislav Friganović
Mentor	Višnja Vrdoljak (mentor)
Mentor	Tomica Hrenar (mentor)
Committee member	Višnja Vrdoljak (predsjednik povjerenstva)
Committee member	Tomica Hrenar (član povjerenstva)
Committee member	Snežana Miljanić (član povjerenstva)
Committee member	Zlatko Mihalić (član povjerenstva)
Committee member	Marina Cindrić (član povjerenstva)
Granter	University of Zagreb Faculty of Science (Department of Chemistry) Zagreb
Defense date and country	2016-03-04, Croatia
Scientific / art field, discipline and subdiscipline	NATURAL SCIENCES Chemistry
Abstract	Ovaj diplomski rad predstavlja dio istraživanja kompleksih spojeva prijelaznih metala s hidrazonskim ligandima. Za pripravu kompleksa nikla(II) korišteni su ligandi H2VanHBOH (4‐hidroksi‐N'‐[(2‐hidroksi‐3‐metoksibenziliden)] benzohidrazid) i H2VIH (2‐hidroksi‐3‐metoksibenzaldehid izonikotinoilhidrazid). Kompleksni spojevi priređeni su reakcijama hidrazona s niklovim(II) acetatom. Ispitan je utjecaj otapala na tijek kemijskih reakcija i nastajanje konačnog produkta. Svi priređeni kompleksni spojevi (Ni3(VanHBOH)2(OAc)2(MeOH)4]∙ 2MeOH∙CH3CN, [Ni(HVanHBOH)2]∙MeOH, [Ni(VanHBOH)(py)] i [Ni(VIH)]n) karakterizirani su na osnovi podataka IR spektroskopije, klasične kemijske analize i termičke analize. Kvantno‐kemijskim izračunima (DFT) predviđene su geometrije kompleksa: [Ni(SalHBOH)(py)], Ni(4OMe‐ SalHBOH)(py)] i [Ni(VanHBOH)(py)]. Za izračun geometrija kompleksa korištena je teorija funkcionala gustoće (B3LYP), Møller‐Plessetova perturbacijska teorija drugoga reda te dva skupa osnovnih funkcija: 6‐31G(d) i 6‐ 311++G(d,p). Usporedbom izračunatih vrijednosti duljina veza, međuveznih kutova i torzijskih kutova s eksperimentalno dobivenim vrijednostima ustanovljeno je kako se uz primjenu obaju skupova osnovnih funkcija (6‐31G(d) i 6‐311++G(d,p)) dobivaju strukture razmjerno slične eksperimentalno dobivenim strukturama osim u slučaju torzijskih kutova koji se odnose na molekulu piridina gdje je veći skup osnovnih funkcija dao bitno bolje rezultate. Asignacija najvažnijih vrpci u eksperimentalnim vibracijskim spektrima provedena je na temelju usporedbe s izračunatim spektrima.
Abstract (english)	This diploma thesis is part of the research of transition metal complexes with hydrazone ligands. H2VanHBOH (4‐ hydroxy‐N'‐[(2‐hydroxy‐3‐methoxybenzylidene)]benzohydrazyde) and H2VIH (2‐hydroksy‐3‐metoxybenzaldehide isonicotinoylhydrazide) ligands were used for synthesis of nickel(II) complexes. They were prepared by the reaction of the corresponding hydrazones with nickel(II) acetate. The influence of solvent on the course of chemical reaction and formation of the final product was investigated. All prepared complexes: (Ni3(VanHBOH)2(OAc)2(MeOH)4]∙2MeOH∙CH3CN, [Ni(HVanHBOH)2]∙MeOH, [Ni(VanHBOH)(py)] and [Ni(VIH)]n) were characterized by IR spectroscopy, classic chemical analysis and termogravimetric analysis. Geometries of the complexes: [Ni(SalHBOH)(py)], Ni(4O‐Me‐SalHBOH)(py)] and [Ni(VanHBOH)(py)] were obtained as the results of the quantum‐chemical calculation (DFT). Density Functional Theory (B3LYP) and second order Møller‐Plesset perturbation theory were used for the calculation with two basis sets 6‐31G(d) and 6‐311++G(d,p). Values of bond lengths, interbond angles and torsion angles were obtained by calculation and compared. Structures obtained using both basis sets (6‐31G(d) i 6‐311++G(d,p)) are similar to the experimentally obtained structures. Torsion angles that are related to the pyridine ligand were much more accurately predicted with the usage of better basis set (6‐311++G(d,p)). Assignation of the most relevant bands in experimental IR spectrum was done by comparing experimental values with the calculated IR spectra.
Keywords
Keywords (english)
Language	croatian
URN:NBN	urn:nbn:hr:217:754850
Study programme	Title: 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 resource	Text
File origin	Born digital
Access conditions	Open access Embargo expiration date: 2018-03-04
Terms of use
Repository	Repository of the Faculty of Science
Created on	2017-03-22 12:00:10

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