Kokristali 2,4,6-kolidinijevih i 3,5-lutidinijevih halogenida s 1,4-dijodtetrafluorbenzenom

master's thesis

• Title (english): Cocrystals of 2,4,6-collidinium and 3,5-lutidinium halogenides with 1,4-diiodotetrafluorobenzene
• Author: Marin Liović
• Mentor: Vladimir Stilinović (mentor)
• Committee member: Vladimir Stilinović (predsjednik povjerenstva)
• Committee member: Gordan Horvat (član povjerenstva)
• Committee member: Nikola Cindro (član povjerenstva)
• Committee member: Dominik Cinčić (član povjerenstva)
• Granter: University of Zagreb; Faculty of Science; (Department of Chemistry); Zagreb
• Defense date and country: 2022-09-16, Croatia
• Scientific / art field, discipline and subdiscipline: NATURAL SCIENCES; Chemistry

Abstract

S ciljem izučavanja halogenida kao akceptora halogenske i vodikove veze istovremeno, u
sklopu ovog diplomskog rada pripravljeni su halogenidi 2,4,6-kolidina (246kol) i 3,5-lutidina
(35lut) koji su kokristalizirani s 1,4-dijodtetrafluorbenzenom (14tfib). Soli i kokristali su
pripravljeni sintezom iz otopine. Metodom difrakcije na jediničnom kristalu, određene su
molekulske i kristalne strukture 6 soli, 2 solvata soli i 7 kokristala soli. U svim pripravljenim
kokristalima, uz vodikove veze N−H⋯X – s kationima 246kolH+ i 35lutH+, halogenidi ostvaruju
halogenske veze C‒I⋯X‒ s molekulama 14tfib stvarajući motive cik-cak lanca. Uspoređujući
duljine interakcija relativne sumama van der Waalsovih i ionskih radijusa atoma u interakciji
unutar 246kol i 35lut serija, vodikove veze su relativno kraće za halogenide manjeg radijusa,
dok su relativne duljine halogenskih veza međusobno bliskih vrijednosti i ne prate nikakav
trend.

Abstract (english)

In order to study the halogenide anion as an acceptor of halogen and hydrogen bonds
simultaneously, single crystals of 2,4,6-collidinium (246col) and 3,5-lutidinium halogenides
(35lut), and their respective cocrystals with 1,4-diiodotetrafluorobenzene (14tfib), were
prepared via solution synthesis within this master thesis. The molecular and crystal structures
of 6 salts, 2 solvates of salts and 7 cocrystals of salts were determined by single crystal X-ray
diffraction experiments. In all the prepared cocrystals, along with N−H⋯X– hydrogen bonds,
every halogenide and 14tfib alternate forming zig-zag chains via C‒I⋯X‒ halogen bonds.
Comparing interaction lengths relative to the sum of van der Waals and ionic radii of the donor
and acceptor atoms within the 246col and 35lut series, hydrogen bonds are relatively shorter
for smaller halogenides while halogen bonds vary slightly in relative length and do not follow
any trend.

• Keywords: halogenska veza; vodikova veza; halogenidni anion; kokristal
• Keywords (english): halogen bond; hydrogen bond; halogenide anion; cocrystal
• Language: croatian
• URN:NBN: urn:nbn:hr:217:966322
• 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: Embargoed access; Embargo expiration date: 2024-09-16
• Created on: 2022-10-06 12:27:16