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Lecture Sergey Katsyuba

Rooster

WanneerWaar
03 november 2008 FWN-Building 5118.-149, Nijenborgh 4, 9747 AG, Groningen
Speaker: Prof. Sergey Katsyuba
Affiliation: c/o University of Braunschweig, Germany
Title: Transition metals complexes of some organophosphorus ligands: structure, spectra and magnetic properties
Date: Mon Nov 3, 2008
Start: 14.00
Location: FWN-Building 5118.-149
Host: Michael Filatov
Telephone: +31 50 363 4377

Abstract

The structure, IR, Raman and NMR spectra, and magnetic properties of various Mn, Ni, Cu, Re complexes with diphosphacyclopentadienide and diazadiphosphacyclooctane ligands are analyzed within the framework of quantum chemistry. On one hand, the combination of quantum-chemical computations and experimental spectroscopic techniques allows elucidation of the structure of amorphous or polycrystalline samples, or their solutions where single-crystal X-ray is not feasible. On the other hand, some gaps exist between the results of theoretical gas phase calculations and magnetic measurements in the solid phase. Possible reasons of this discrepancy are discussed.

Laatst gewijzigd:22 oktober 2012 14:30