Sinteza i karakterizacija jodidnih kompleksa prijelaznih metala pripravljenih mehanokemijskom sintezom u šupljinama zeolita strukturnog tipa FAU

master's thesis

• Title (english): Synthesis and characterization of transition metal iodide complexes prepared by mechanochemical synthesys within the voids of FAU-type zeolite material
• Author: Emilija Petrović Hađar
• Mentor: Ana Palčić (mentor)
• Committee member: Vladimir Stilinović (predsjednik povjerenstva)
• Committee member: Gordan Horvat (član povjerenstva)
• Committee member: Ivan Nemet (član povjerenstva)
• Committee member: Vinko Nemec (član povjerenstva)
• Granter: University of Zagreb; Faculty of Science; (Department of Chemistry); Zagreb
• Defense date and country: 2024-10-02, Croatia
• Scientific / art field, discipline and subdiscipline: NATURAL SCIENCES; Chemistry

Abstract

Zeoliti su mikroporozni kristalni alumosilikatni materijali uređene strukture koju karakteriziraju šupljine i kanali određenih dimenzija te svojstva poput ionske izmjene i velikog apsorpcijskog kapaciteta. Svoju primjenu pronalaze kao katalizatori, apsorbensi, pročišćivači i dr. U ovom radu korišten je zeolit strukturnog tipa FAU kojeg karakteriziraju velike šupljine (promjer šupljina do 11,2 Å) i stabilnost pri visokim temperaturama. Provedena je mehanokemijska poslijesintetska modifikacija zeolita strukturnog tipa FAU kationima prijelaznih metala (željeza(II), kobalta(II), nikla(II) i bakra(II)) nakon čega je uslijedilo mljevenje s jodom ili kalijevim jodidom. Na taj način sintetizirano je osam različitih jodidnih kompleksa prijelaznih metala unutar šupljina zeolita strukturnog tipa FAU. Kompleksi su identificirani usporedbom simuliranih far-IR spektara, korištenjem hibridnog DFT funkcionala tipa WB97XD, sa snimljenim spektrima. Naposljetku, uzorci su izloženi korozivnim atmosferama dušikova dioksida i klorovodika te je pokazana uzajamna stabilizacija zeolita i kompleksa u ovakvim uvjetima.

Abstract (english)

Zeolites are microporous crystalline alumosilicate materials with an organized structure characterized by cavities and channels of specific dimensions, and properties like ion-exchange and high absorption capacity. They are used as catalysts, absorbents, and purifiers, among others. In this work, FAU-type zeolite, which is characterized by large cavities (cavity diameters up to 11.2 Å) and stability at high temperatures, was used. A mechanochemical post- synthetic modification of the FAU-type zeolite with transition metal cations (iron(II), cobalt(II), nickel(II), and copper(II)) was carried out, followed by grinding with iodine or potassium iodide. The result was eight different iodide complexes of transition metals synthesized within cavities of the FAU-type zeolite. The complexes were identified by comparing simulated far- IR spectra, by using the hybrid DFT functional WB97XD, and experimental spectra. Finally, the samples were exposed to corrosive atmospheres of nitrogen dioxide and hydrogen chloride, demonstrating the mutual stabilization of the zeolite and complexes under such conditions.

• Keywords: apsorpcija; jodidni kompleksi; mehanokemija; poslijesintetska modifikacija; zeolit strukturnog tipa FAU
• Keywords (english): absorption; FAU-type zeolite; iodide complexes; mechanochemistry; post-synthetic modification
• Language: croatian
• URN:NBN: urn:nbn:hr:217:099943
• Project: Number: UIP-2019-04-4977; Title: Zeoliti s malim šupljinama modificirani bakrom pogodni za primjenu u zaštiti okoliša; Title: Copper-modified Small-pore Zeolites Suitable for Environmental Applications; Acronym: SMALLPORE; Leader: Ana Palčić; Jurisdiction: Croatia; Funder: Hrvatska zaklada za znanost; Funding stream: Installation Research Projects
• Study programme: Title: Graduate university studies in chemistry; specializations in: Graduate university studies in chemistry; Course: Graduate university studies in chemistry; Study programme type: university; Study level: graduate; Academic / professional title: sveučilišni/a magistar/magistra kemije (sveučilišni/a magistar/magistra kemije)
• Type of resource: Text
• File origin: Born digital
• Access conditions: Embargoed access; Embargo expiration date: 2025-10-02
• Created on: 2024-10-23 12:30:24