May 21, 2019   10:44 a.m. Zina
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Electronic structure of 3d-coordination compounds in solid state.

Supervisor: doc. Ing. Jozef Kožíšek, CSc.

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Project description:Ambition of submitted project is the integrated study of geometric and electronic structure, as well as the physical and chemical properties of coordination compounds in solid state. Electronic structure will be studied experimentrally from accurate diffraction data and also by theoretical treatment with ab-initio and DSF calculations in 3D systems. Systems studied have interesting physical and chemical properties, or they are used as model systems for comparison of experimental and theoretical results in order to understand feasibility of the different techniques. From the experimental point of wiev it is the higher approach comparing with the routine crystal structure analysis. The common feature of the systems studied is that the substances are in the crystallic state. The composition of investigators of this project was selected in such a way that complex approach could be possible. Synthesis of the required ligand, preparation of the coordination compound, obtaining the crystal of required quality, and solving the crystal structure, as well as using all, in the Slovakia accessible methods ( X-ray analysis, ESR spectroscopy, IR, NMR, DSC measurements, etc.). Acquired knowledge could be used for the synthesis of modified compounds with improved properties.
Kind of project:VEGA ()
Department:Department of Physical Chemistry (IPC FCFT)
Project identification:1/2449/05
Project status:Successfully completed
Project start date :01. 01. 2005
Project close date:31. 12. 2007
Number of workers in the project:1
Number of official workers in the project:0