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doctoral thesis
Istraživanje prirode π-interakcija i multicentričnih veza između organskih radikala
Zagreb: University of Zagreb, Faculty of Science, 2024. urn:nbn:hr:217:792272
Stanić, Petra
University of Zagreb
Faculty of Science
Department of Chemistry

Institutional repository: Repository of the Faculty of Science

Cite this document

Stanić, P. (2024). Istraživanje prirode π-interakcija i multicentričnih veza između organskih radikala (Doctoral thesis). Zagreb: University of Zagreb, Faculty of Science. Retrieved from https://urn.nsk.hr/urn:nbn:hr:217:792272

Stanić, Petra. "Istraživanje prirode π-interakcija i multicentričnih veza između organskih radikala." Doctoral thesis, University of Zagreb, Faculty of Science, 2024. https://urn.nsk.hr/urn:nbn:hr:217:792272

Stanić, Petra. "Istraživanje prirode π-interakcija i multicentričnih veza između organskih radikala." Doctoral thesis, University of Zagreb, Faculty of Science, 2024. https://urn.nsk.hr/urn:nbn:hr:217:792272

Stanić, P. (2024). 'Istraživanje prirode π-interakcija i multicentričnih veza između organskih radikala', Doctoral thesis, University of Zagreb, Faculty of Science, accessed 22 December 2024, https://urn.nsk.hr/urn:nbn:hr:217:792272

Stanić P. Istraživanje prirode π-interakcija i multicentričnih veza između organskih radikala [Doctoral thesis]. Zagreb: University of Zagreb, Faculty of Science; 2024 [cited 2024 December 22] Available at: https://urn.nsk.hr/urn:nbn:hr:217:792272

P. Stanić, "Istraživanje prirode π-interakcija i multicentričnih veza između organskih radikala", Doctoral thesis, University of Zagreb, Faculty of Science, Zagreb, 2024. Available at: https://urn.nsk.hr/urn:nbn:hr:217:792272

Metadata
TitleIstraživanje prirode π-interakcija i multicentričnih veza između organskih radikala
Title (english)Study of the nature of π-interactions and multicentric bonding between organic radicals
AuthorPetra Stanić
MentorKrešimir Molčanov (mentor)
Committee memberVladimir Stilinović (predsjednik povjerenstva)
Committee memberJasminka Popović (član povjerenstva)
Committee memberMarijana Jurić (član povjerenstva)
GranterUniversity of Zagreb
Faculty of Science
(Department of Chemistry)
Zagreb
Defense date and country2024-12-13, Croatia
Scientific / art field,
discipline and subdiscipline		NATURAL SCIENCES
Chemistry
Universal decimal classification
(UDC)		54 - Chemistry. Crystallography. Mineralogy
Abstract
Istraživanje prirode π-interakcija u sklopu ove disertacije obuhvaća sintezu soli organskih radikala i pripravu jediničnih kristala te strukturnu analizu i analizu elektronske gustoće dobivenih spojeva. U ovom radu proučene su i opisane π-interakcije i multicentrične veze između prstena planarnih organskih radikala (palačinka-veze) u oligomerima radikal-aniona i radikal-kationa. Priroda multicentrične veze istražena je rentgenskom strukturnom analizom u jediničnim kristalima pri ekstremnim uvjetima (visokom tlaku i temperaturi) i metodama kvantne kristalografije (određivanjem gustoće naboja). Pretpostavljena fizička svojstva soli 5,6- diklor-2,3-dicijanosemikinona i 2-amino-5-metil-N-metilpiridinijevog jodida proučavana su i potvrđena mjerenjima električne vodljivosti impedancijskom spektroskopijom i magnetizacije SQUID-magnetometrom. Visoka temperatura utjecala je na rast udaljenosti između prstena radikala i rast parametara jedinične ćelije kristala. Pod utjecajem visokog tlaka smanjuju se udaljenosti između prstena radikala što ukazuje na jačanje palačinka-veze. Nadalje, topološka analiza elektronske gustoće u tri pripravljena sustava potvrdila je prisutnost multicentrične palačinka-veze kovalentnog karaktera između prstena radikal-aniona i radikal-kationa.
Abstract (english)
The study of the nature of π-interaction in this dissertation includes the synthesis of organic radical salts, preparation of single crystals, and structural analysis and analysis of charge density. In this work, π-interactions and multicentre bonds between planar organic radicals (pancake bonds) were studied and described in oligomers of radical anions and radical cations. The nature of the multicentre bond was investigated by means of X-ray structural analysis of single crystals under extreme conditions (high pressure and temperature) and quantum crystallography methods (refinement of the charge density). The assumed physical properties of 2,3-dichloro-5,6-dicyano-p-benzoquinone salt with 2-amino-5-methyl-N-methylpyridinium were confirmed by measurements of electrical conductivity by impedance spectroscopy and magnetization by SQUID. High temperature affects the growth of the distance between radical rings and growth of the cell parameters of the crystal. With high pressure distances between radical rings decrease, which indicates strengthening of the pancake bond. Topological analysis of the electron density in three prepared systems confirmed presence of multicentre pancake bonds between the rings of radical anions and radical cations and its covalent character.
Keywords
Keywords (english)
Languagecroatian
URN:NBNurn:nbn:hr:217:792272
Promotion2024
ProjectNumber: IP-2019-04-4674
Title: Multicentrične kovalentne veze i pi-interakcije određuju fizička svojstva kristala organskih radikala
Title: Multicentric covalent bonding and pi-interactions define physical properties of crystals of organic radicals
Acronym: MULTICENTRICBONDING
Leader: Krešimir Molčanov
Jurisdiction: Croatia
Funder: Hrvatska zaklada za znanost
Funding stream: Research Projects
Study programmeTitle: Doctoral study
Study programme type: university
Study level: postgraduate
Academic / professional title: doktor/doktorica u području prirodnih znanosti (doktor/doktorica u području prirodnih znanosti)
Type of resourceText
ExtentLIII, 149 str. ; 30 cm
File originBorn digital
Access conditionsOpen access
Terms of useLicence In copyright icon
Created on2024-12-19 15:21:30