Seminar Wednesday February 12: Experimental insight into organometallic and inorganic materials: Comprehensive XRPD, ssNMR AND DFT study

 

The seminar will take place at conference room of UACH on Wednesday, February 12 at 1:30 p.m.

 

Experimental insight into organometallic and inorganic materials: Comprehensive XRPD, ssNMR AND DFT study

Libor Kobera  (Ústav makromolekulární chemie AV ČR, v.v.i.)

Organometallic and inorganic systems are widely used in chemical industry for ion exchange, sorption, catalysis, molecular sieving, solar cell etc. Experimental/computational strategy based on a solid-state NMR crystallographic approach allows for detailed structural characterization of a wide range of compounds. The NMR crystallography approach (combining of XRPD, ssNMR and DFT calculations) helps to firmly define the exact structure of the investigated system.

Basic characterization is usually accomplished using a combination of the XRPD, ssNMR and DFT study of prepared framework materials. In this presentation not only basic 1D NMR experiments but also advanced ssNMR techniques such as 2D correlation, MQ/MAS as well as UW NMR experiments will be presented and their use for deep insight into the structure will be demonstrated, namely for organometallic compounds and perovskites.

Invitation in PDF.

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