Sinteza, spektroskopska karakterizacija i računalno modeliranje novih di-heterostilbena

undergraduate thesis

• Title (english): Synthesis, spectroscopic characterization and computational modeling of new di-heterostilbenes
• Author: Mario Damjanović
• Mentor: Irena Škorić (mentor)
• Committee member: Irena Škorić (predsjednik povjerenstva)
• Committee member: Fabio Faraguna (član povjerenstva)
• Committee member: Danijela Barić (član povjerenstva)
• Granter: University of Zagreb; Faculty of Chemical Engineering and Technology; Zagreb
• Defense date and country: 2023-09-22, Croatia
• Scientific / art field, discipline and subdiscipline: NATURAL SCIENCES; Chemistry

Abstract

Sintetizirani su novi tienobenzo-triazoli: 7-metil-1-(tiofen-2-ilmetil)-1H-tieno[3',2':3,4]benzo[1,2-d][1,2,3]triazol; 1-(4-fluorbenzil)-7-metil-1H-tieno[3',2':3,4]-benzo[1,2-d][1,2,3]triazol; 1-(4-metoksibenzil)-7-metil-1H-tieno[3',2':3,4]benzo[1,2-d]-
[1,2,3]triazol i 1-(furan-2-ilmetil)-7-metil-1H-tieno[3',2':3,4]benzo[1,2-d][1,2,3]triazol. Oni i njihovi prekursori, triazolostilbeni su spektroskopski proučavani, a njihove strukture dokazane su 1H i 13C NMR spektrima. Čisti izomeri jednog od triazolostilbena podvrgnuti su osvjetljavanju pri 313 nm u vremenskim intervalima, tijekom kojih se prate promjene UV spektara. Jednom od spojeva računalno je određena struktura i granične orbitale.

Abstract (english)

New thienobenzo-triazoles were synthesized: 7-methyl-1-(thiophen-2-ylmethyl)-1H-
thieno[3',2':3,4]benzo[1,2-d][1,2,3]triazole; 1-(4-fluorobenzyl)-7-methyl-1H-thieno[3',2':3,4]-
benzo[1,2-d][1,2,3]triazole; 1-(4-methoxybenzyl)-7-methyl-1H-thieno[3',2':3,4]benzo[1,2- d][1,2,3]triazole and 1-(furan-2-ylmethyl)-7-methyl-1H-thieno[3',2':3,4]benzo[1,2- d][1,2,3]triazole. They and their precursors, triazolostilbenes were studied spectroscopically and their structures were proved by 1H and 13C NMR spectra. Pure isomers of one triazolostilbene are subjected to illumination at 313 nm in time intervals, during which changes in UV spectra are monitored. For one of the compounds, the structure and frontier orbitals were calculated by computational study.

• Keywords: jezgra; kemijski pomak; računalno modeliranje; signal; sinteza; spektroskopija
• Keywords (english): nucleus; chemical shift; computational modeling; signal; synthesis; spectroscopy
• Language: croatian
• URN:NBN: urn:nbn:hr:149:214255
• Study programme: Title: Applied Chemistry - Undergraduate study; specializations in: Environmental chemistry and green technologies, Advanced materials and technologies, Applied organic chemistry; Course: Applied organic chemistry; Study programme type: university; Study level: undergraduate; Academic / professional title: sveučilišni/a prvostupnik/prvostupnica (baccalaureus/baccalaurea) primijenjene kemije (sveučilišni/a prvostupnik/prvostupnica (baccalaureus/baccalaurea) primijenjene kemije)
• Type of resource: Text
• File origin: Born digital
• Access conditions: Open access
• Created on: 2023-12-01 11:37:44