Electronic structure of calix[4]arene thioethers and their complexes with palladium, as studied by X-ray emission spectroscopy, X-ray photoelectron spectroscopy, and quantum chemistry

The charge state of calix[4]arene thioethers and their complexes with palladium was studied by X-ray emission spectroscopy and X-ray photoelectron spectroscopy. Experimental data were compared with the results of quantumchemical calculations. The involvement of the sulfur lone electron pairs in the...

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Published in:Russian chemical bulletin 2015-08, Vol.64 (8), p.1796-1800
Main Authors: Kryuchkova, N. A., Kostin, G. A., Korotaev, E. V., Mazalov, L. N., Torgov, V. G.
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description The charge state of calix[4]arene thioethers and their complexes with palladium was studied by X-ray emission spectroscopy and X-ray photoelectron spectroscopy. Experimental data were compared with the results of quantumchemical calculations. The involvement of the sulfur lone electron pairs in the coordination to Pd atoms causes a decrease in the energies of the corresponding MOs having contributions from the sulfur 3p AOs and, consequently, a decrease in the intensity of the maximum A on going from the S( K β) spectra of free ligands to the spectra of complexes. The binuclear nature of the complexes does not lead to the onset of significant additional interactions between two metal centers.
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Full Articles
Inorganic Chemistry
Organic Chemistry
title Electronic structure of calix[4]arene thioethers and their complexes with palladium, as studied by X-ray emission spectroscopy, X-ray photoelectron spectroscopy, and quantum chemistry
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