Kokristalizacija strukturnih izomera benzoilpiridina s perhalogeniranim donorima halogenske veze

master's thesis

• Title (english): Cocrystallization of benzoylpyridine structural isomers with perhalogenated halogen bond donors
• Author: Nea Baus
• Mentor: Dominik Cinčić (mentor)
• Committee member: Dominik Cinčić (predsjednik povjerenstva)
• Committee member: Iva Juranović Cindrić (član povjerenstva)
• Committee member: Ivana Biljan (član povjerenstva)
• Committee member: Vladimir Stilinović (član povjerenstva)
• Granter: University of Zagreb; Faculty of Science; (Department of Chemistry); Zagreb
• Defense date and country: 2019-09-23, Croatia
• Scientific / art field, discipline and subdiscipline: NATURAL SCIENCES; Chemistry

Abstract

sklopu ovog diplomskog rada izučavana je mogućnost nastajanja kokristala strukturnih izomera
benzoilpiridina s odabranim donorima halogenske veze: 1,4-dibromtetrafluorbenzenom, tetrafluor-1,4-
dijodbenzenom, tetrafluor-1,3-dijodbenzenom, tetrafluor-1,2-dijodbenzenom, trifluor-1,3,5-
trijodbenzenom, jodpentafluorbenzenom, brompentafluorbenzenom, oktafluor-1,4-dijodbutanom i
heptadekafluor-1-jodoktanom kristalizacijom iz otopine i taline te mehanokemijskom sintezom.
Pripravljeno je i strukturno okarakterizirano sedam novih kokristala. U svim kokristalima, piridinski
atom dušika benzoilpiridina je akceptor halogenske veze, dok karbonilni kisik ima tu ulogu u samo
dva kokristala.
Pripravljeni kokristali izučavani su metodom difrakcije rentgenskih zraka na praškastom
uzorku, termogravimetrijom i razlikovnom pretražnom kalorimetrijom. Dobivenim kokristalima
metodom difrakcije rentgenskog zračenja na jediničnom kristalu iznađena je molekulska i kristalna
struktura, te je ista dovedena u vezu s njihovim termičkim svojstvima.

Abstract (english)

Within this master thesis the possibility of cocrystallization of benzoylpyridine structural isomers and
selected halogen bond donors: 1,4-dibromotetrafluorobenzene, tetrafluoro-1,4-diiodobenzene,
tetrafluoro-1,3-diiodobenzene, tetrafluoro-1,2-diiodobenzene, trifluoro-1,3,5-triiodobenzene,
iodopentafluorobenzene, bromopentafluorobenzene, octafluoro-1,4-diiodobutane and heptadecafluoro-
1-iodooctane was studied by means of solution-based crystallization, melt crystallization and
mechanochemical synthesis. Seven new cocrystals were synthesized and structurally characterized. In
all cocrystals, the pyridine nitrogen atom is a halogen bond acceptor, while carbonyl oxygen atom is
acceptor only in two of them.
The cocrystals were described by powder X-ray diffraction, thermogravimetry and differential
scanning calorimetry. The crystal and molecular structures of prepared compounds were explored by
single crystal X-ray diffraction, and correlated with thermal properties.

• Keywords: benzoilpiridin; halogenska veza; kokristal; perhalogenirani donori
• Keywords (english): benzoylpyridine; halogen bond; cocrystal; perhalogenated donors
• Language: croatian
• URN:NBN: urn:nbn:hr:217:729295
• 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: 2021-09-23
• Created on: 2019-10-03 10:06:05