Abstract
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(Kβ) 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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Based on the materials of the XXVI International Chugaev Conference on Coordination Chemistry (October 6—10, 2014, Kazan).
Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 8, pp. 1796—1800, August, 2015.
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Kryuchkova, N.A., Kostin, G.A., Korotaev, E.V. et al. 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. Russ Chem Bull 64, 1796–1800 (2015). https://doi.org/10.1007/s11172-015-1073-5
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DOI: https://doi.org/10.1007/s11172-015-1073-5