Kokristalizacija bis(2-benzoilpiridin)dikloridobakra(II) s perhalogeniranim donorima halogenske veze

master's thesis

• Title (english): Cocrystallization of dichlorobis(2-benzoylpyridine)copper(II) with perhalogenated halogen bond donors
• Author: Sara Cepić
• Mentor: Dominik Cinčić (mentor)
• Committee member: Dominik Cinčić (predsjednik povjerenstva)
• Committee member: Tomica Hrenar (član povjerenstva)
• Committee member: Đani Škalamera (član povjerenstva)
• Committee member: Vladimir Stilinović (član povjerenstva)
• Granter: University of Zagreb; Faculty of Science; (Department of Chemistry); Zagreb
• Defense date and country: 2021-02-26, Croatia
• Scientific / art field, discipline and subdiscipline: NATURAL SCIENCES; Chemistry

Abstract

U ovom radu ispitivana je mogućnost kokristalizacije bis(2-benzoilpiridin)dikloridobakra(II) s
perhalogeniranim donorima halogenske veze: 1,4-dijodtetrafluorbenzenom, 1,3-
dijodtetrafluorbenzenom, 1,2-dijodtetrafluorbenzenom, 1,3,5-trijod-2,4,6-trifluorbenzenom,
jodpentafluorbenzenom i 1,4-dijodoktafluorbutanom. Mehanokemijska sinteza kokristala
provedena je na dva načina: mljevenjem koordinacijskog spoja bakra(II) i donora te mljevenjem
bakrovog(II) klorida dihidrata, 2-benzoilpiridina i donora. Dobiveni produkti su
okarakterizirani difrakcijom rentgenskog zračenja na praškastom uzorku te je utvrđen nastanak
deset novih kristalnih faza. Za četiri kokristala kristalizacijom iz otopine priređeni su jedinični
kristali te im je difrakcijom rentgenskog zračenja na jediničnom kristalu iznađena molekulska
i kristalna struktura. Strukturnom analizom priređenih spojeva utvrđeno je da je u svim
kokristalima dominantna supramolekulska interakcija halogenska veza Cu–Cl···I. Kokristali su
okarakterizirani termogravimetrijskom analizom i metodom prigušene totalne refleksije
infracrvenog zračenja.

Abstract (english)

In this work, the possibility of forming cocrystals of bis(2-benzoylpyridine)dichlorido
copper(II) with perhalogenated halogen bond donors: 1,4-diiodtetrafluorobenzene, 1,3-
diiodotetrafluorobenzene, 1,2-diiodotetrafluorobenzene, 1,3,5-triiodo-2,4,6-trifluorobenzene,
iodopentafluorobenzene and 1,4-diiodooctafluorobutane, was studied. The mechanochemical
synthesis of cocrystals was carried out in two ways: by grinding the coordination compound of
copper(II) and donor and by grinding copper(II) chloride dihydrate, 2-benzoylpyridine and
donor. The obtained products were characterised by powder X-ray diffraction and the formation
of ten new crystalline phases was determined. Single-crystals were obtained for four cocrystals
by solution crystallisation and their molecular and crystal structures were determined by single
crystal X-ray diffraction. Structural analysis has shown that the dominant intermolecular
interaction in all cocrystal is the Cu–Cl···I halogen bond. The thermal stability of the cocrystals
was examined by thermogravimetric analysis, and they were also analyzed by infrared
spectroscopy.

• Keywords: halogenska veza; kokristali; mehanokemijska sinteza
• Keywords (english): halogen bond; cocrystals; mechanochemical synthesis
• Language: croatian
• URN:NBN: urn:nbn:hr:217:336862
• Project: Number: IP-2014-09-7367; Title: Kristalno inženjerstvo višekomponentinih metaloorganksih materijala povezanih halogenskom vezom: ususret supramolekulskom ugađanju strukture i svojstava; Title: Crystal engineering of multicomponent halogen bonded metal-organic materials: towards supramolecular control over structure and properties; Acronym: CrystEngMOM; Leader: Dominik Cinčić; Jurisdiction: Croatia; Funder: HRZZ; Funding stream: IP
• Project: Number: IP-2019-04-1868; Title: Nove građevne jedinke u supramolekulskom dizajnu složenih višekomponentnih molekulskih kristala temeljenih na halogenskim vezama; Title: New building blocks for the supramolecular design of complex multi-component molecular crystals based on halogen bonds; Acronym: HaloBond; Leader: Dominik Cinčić; Jurisdiction: Croatia; Funder: HRZZ; Funding stream: IP
• 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: 2023-02-26
• Created on: 2021-03-08 13:17:57