undergraduate thesis
Solution and refinement of Crystal Structures

Ivan Marić (2015)
Josip Juraj Strossmayer University of Osijek
Department of Chemistry
Metadata
TitleRješavanje i utočnjavanje kristalnih struktura
AuthorIvan Marić
Mentor(s)Berislav Marković (thesis advisor)
Tomislav Balić (thesis advisor)
Abstract
Cilj ovog rada je pobliţe upoznati metode rješavanja i utočnjavanja kristalnih struktura na primjeru dinuklearnog bakrovog kompleksa s acetatnim i metoksi ligandima, Cu2[(μ- CH3COO)2(CH3O)2]. Uvedeni su ključni pojmovi iz područja rentgenske difrakcije i kristalografije, te je kratko opisan korišteni softver kao što je WinGX, Ortep3, ShelX, Mercury bez kojeg ovaj rad ne bi bio moguć. Detaljno su opisane duljine veza, kutevi, intermolekularne interakcije, te geometrija kompleksa. U ovom radu se moţe vidjeti kako se pouzdano moţe odrediti struktura kristalizirane molekule te brojne karakteristike molekule, uz korištenje i osnovno poznavanje navedenog softvera, te teorije difrakcije i kristalografije.
Keywordsdiffraction crystal structures crystallographic software
Parallel title (English)Solution and refinement of Crystal Structures
GranterJosip Juraj Strossmayer University of Osijek
Department of Chemistry
PlaceOsijek
StateCroatia
Scientific field, discipline, subdisciplineNATURAL SCIENCES
Chemistry
Study programme typeuniversity
Study levelundergraduate
Study programmeChemistry
Academic title abbreviationuniv. bacc. chem.
Genreundergraduate thesis
Language Croatian
Defense date2015-09-16
Parallel abstract (English)
The goal of this thesis is to learn the methods for solution and refinement of crystal structures, on a dinuclear copper complex with acetate and methoxy ligands, Cu2[(μ- CH3COO)2(CH3O)2]. Key terms have been introduced from the fields of Roentgen diffraction and crystallography, and the software used, without which this thesis would not be possible, like WinGX, Ortep3, ShelX and Mercury, was also shortly described. Bond lengths, angles, intermolecular interactions, and the geometry of the complex were thoroughly described. In the thesis, one can easily see that a structure of a crystallized molecule, and its numerous properties can be reliably determined, with the usage and basic understanding of mentioned software, and the theory of diffraction and crystallography.
Parallel keywords (Croatian)difrakcija kristalne strukture kristalografski softver
Resource typetext
Access conditionOpen access
Terms of usehttp://rightsstatements.org/vocab/InC/1.0/
URN:NBNhttps://urn.nsk.hr/urn:nbn:hr:182:265927
CommitterSanda Hasenay