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master's thesis
Termodinamika kompleksiranja derivata benzena s beta-ciklodekstrinom i kukurbit[7]urilom
Zagreb: University of Zagreb, Faculty of Science, 2022. urn:nbn:hr:217:683848
Babić, Tea
University of Zagreb
Faculty of Science
Department of Chemistry

Institutional repository: Repository of the Faculty of Science

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Babić, T. (2022). Termodinamika kompleksiranja derivata benzena s beta-ciklodekstrinom i kukurbit[7]urilom (Master's thesis). Zagreb: University of Zagreb, Faculty of Science. Retrieved from https://urn.nsk.hr/urn:nbn:hr:217:683848

Babić, Tea. "Termodinamika kompleksiranja derivata benzena s beta-ciklodekstrinom i kukurbit[7]urilom." Master's thesis, University of Zagreb, Faculty of Science, 2022. https://urn.nsk.hr/urn:nbn:hr:217:683848

Babić, Tea. "Termodinamika kompleksiranja derivata benzena s beta-ciklodekstrinom i kukurbit[7]urilom." Master's thesis, University of Zagreb, Faculty of Science, 2022. https://urn.nsk.hr/urn:nbn:hr:217:683848

Babić, T. (2022). 'Termodinamika kompleksiranja derivata benzena s beta-ciklodekstrinom i kukurbit[7]urilom', Master's thesis, University of Zagreb, Faculty of Science, accessed 20 November 2024, https://urn.nsk.hr/urn:nbn:hr:217:683848

Babić T. Termodinamika kompleksiranja derivata benzena s beta-ciklodekstrinom i kukurbit[7]urilom [Master's thesis]. Zagreb: University of Zagreb, Faculty of Science; 2022 [cited 2024 November 20] Available at: https://urn.nsk.hr/urn:nbn:hr:217:683848

T. Babić, "Termodinamika kompleksiranja derivata benzena s beta-ciklodekstrinom i kukurbit[7]urilom", Master's thesis, University of Zagreb, Faculty of Science, Zagreb, 2022. Available at: https://urn.nsk.hr/urn:nbn:hr:217:683848

Metadata
TitleTermodinamika kompleksiranja derivata benzena s beta-ciklodekstrinom i kukurbit[7]urilom
Title (english)Complexation thermodynamics of benzene derivates with beta-cyclodextrin and cucurbit[7]uril
AuthorTea Babić
MentorJosip Požar (mentor)
Committee memberJosip Požar (predsjednik povjerenstva)
Committee memberVladimir Stilinović (član povjerenstva)
Committee memberNikola Cindro (član povjerenstva)
Committee memberNikola Bregović (član povjerenstva)
GranterUniversity of Zagreb
Faculty of Science
(Department of Chemistry)
Zagreb
Defense date and country2022-09-28, Croatia
Scientific / art field,
discipline and subdiscipline		NATURAL SCIENCES
Chemistry
Abstract
U okviru rada istražena je termodinamika kompleksiranja benzena te njegovih mono- i 1,4-disupstituiranih derivata s kukurbit[7]urilom (CB7) i β-ciklodekstrinom (β-CD), pomoću titracijske mikrokalorimetrije i NMR spektroskopije u vodi. Vrijednosti logK° istraženih kompleksa s CB7 su u rasponu od 6,32 (benzen) do 3,13 (hidrokinon), a kompleksiranje je u svim slučajevima entalpijski kontrolirano. Razlike u afinitetima prema istraženim gostima mogu se pojasniti razlikama u hidrataciji gostiju, elektron-donorskim (-akceptorskim) svojstvima supstituenata te položajem funkcionalnih skupina na benzenu. Kompleksi derivata funkcionaliziranih s elektron-donorskim skupinama primarno su stabilniji zbog egzotermnijeg kompleksiranja. Slično, veći afinitet CB7 prema istraženim gostima u usporedbi s β-CD posljedica je povoljnije reakcijske entalpije. Istraživanja termodinamike kompleksiranja u širem temperaturnom području ukazuju na značajnu temperaturnu ovisnost ΔrH° i ΔrS°, koje je u svim slučajevima rezultiralo entalpijsko-entropijskom kompenzacijom. Navedena činjenica ukazuje na ispravnost klasičnog (iceberg) modela hidratacije gosta pri nižim temperaturama.
Abstract (english)
The complexation of mono- and 1,4-disupstituted derivatives of benzene with cucurbit[7]uril (CB7) and β-cyclodextrin (β-CD) was explored in water by means of titration microcalorimetry and NMR spectroscopy. Determined logK° values of the CB7 complexes were in the range of 6,32 (benzene) to 3,13 (hydroquinone), while the complexation reactions were always enthalpically controlled. The differences in complexation affinities could be rationalized by considering the guest hydration, electron-donor (-acceptor) properties of the substituents and their position. Complexes of the derivatives functionalized with electron-donor groups were more stable due to more favourable complexation energetics. The β-CD affinity for each guest was always lower than that of CB7 because of less exothermic inclusion. Investigations in a wider temperature range revealed significant temperature dependence of the ΔrH° and ΔrS° which resulted in almost complete enthalpy-entropy compensation. This fact supports classic (iceberg) model of hydrophobic hydration at lower temperatures.
Keywords
Keywords (english)
Languagecroatian
URN:NBNurn:nbn:hr:217:683848
ProjectNumber: IP-2019-04-9560
Title: Koordinacijske reakcije makrocikličkih liganada u otopini
Title: Coordination Reactions of Macrocyclic Ligands in Solution
Acronym: MacroSol
Leader: Vladislav Tomišić
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
Embargo expiration date: 2024-09-28
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Created on2022-10-21 12:50:16