Izocijanatni ligand kao akceptor halogenske veze u kokristalima koordinacijskog spoja nikla(II) s perhalogeniranim benzenima

master's thesis

• Title (english): Isocyanate ligand as halogen bond acceptor in cocrystals of Ni(II) complex and perhalogenated benzens
• Author: Leo Pehar
• Mentor: Dominik Cinčić (mentor)
• Committee member: Dominik Cinčić (predsjednik povjerenstva)
• Committee member: Iva Juranović Cindrić (član povjerenstva)
• Committee member: Ivan Kodrin (član povjerenstva)
• Committee member: Vladimir Stilinović (član povjerenstva)
• Granter: University of Zagreb; Faculty of Science; (Department of Chemistry); Zagreb
• Defense date and country: 2023-02-20, Croatia
• Scientific / art field, discipline and subdiscipline: NATURAL SCIENCES; Chemistry

Abstract

U ovom diplomskom radu sintetiziran je koordinacijski spoj tetrakis(piridin)bis(cianatoN)nikal(II) s ciljem da se pri kokristalizaciji s odabranim perhalogeniranim donorima halogenske veze istraži potencijal izocijanatnog liganda kao akceptora halogenske veze. Mehanokemijskom sintezom i sintezom u otopini pripravljeno je pet kokristala. Dobiveni produkti okarakterizirani su difrakcijom rendgenskog zračenja na polikristalnom uzoraku, termogravimetrijskom analizom te metodom difrakcije rendgenskog zračenja u jediničnom kristalu. Strukturnom analizom priređenih spojeva utvrđeno je da je u svim kokristalima dominantna supramolekulska interakcija halogenska veza NCO···I koja se ostvaruje između atoma joda perhalogeniranog benzena kao donora halogenske veze i atoma kisika izocijanatnog liganda koordinacijskog spoja nikla(II) kao akceptora halogenske veze.

Abstract (english)

In this thesis, the coordination compound tetrakis(pyridine)bis(cyanato-N)nickel(II) was synthesized to investigate the potential of the isocyanate ligand as a halogen bond acceptor during cocrystallization with selected perhalogenated halogen bond donors. Five cocrystals were prepared by mechanochemical synthesis and solution synthesis. The obtained products were characterized by X-ray diffraction on a polycrystalline sample, thermogravimetric analysis and single crystal X-ray diffraction. The structural analysis of the prepared compounds revealed that in all co-crystals the dominant supramolecular interaction is the halogen bond NCO···I , which occurs between the iodine atom of perhalogenated benzene as a halogen bond donor and the oxygen atom of the isocyanate ligand of the nickel(II) coordination compound as a halogen bond acceptor.

• Keywords: halogenska veza; kokristali; koordinacijski spojevi; kristalizacija; kristalno inženjerstvo; mehanokemijska sinteza
• Keywords (english): cocrystals; coordination compounds; crystal engineering; crystallization; halogen bond; mechanochemical synthesis
• Language: croatian
• URN:NBN: urn:nbn:hr:217:026412
• 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: 2024-02-20
• Created on: 2023-02-23 17:44:29