Spectral and quantum-chemical research of antipyrine derivatives of some rare earth elements complex compounds

Data on the synthesis, IR-spectra, powder XRD studies as well as the results of quantum-chemical calculations for [Ln(AP)6]I3, [Ln(AP)6](ClO4)3 (Ln = Sc, Y, La–Nd, Sm–Lu; AP – antipyrine, C11H12N2O) are presented. It was demonstrated that coordination of the ligand takes place through an oxygen atom...

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Bibliographic Details
Published inTonkie himičeskie tehnologii (Online) Vol. 7; no. 6; pp. 69 - 74
Main Authors N. S. Rukk, R. S. Shamsiev, V. V. Kravchenko, A. Yu. Skryabina, V. V. Zamalyutin
Format Journal Article
LanguageRussian
Published MIREA - Russian Technological University 01.12.2012
Subjects
rare earth elements, antipyrine, iodide, perchlorate, ir-spectra, quantum–chemical calculations
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Summary:Data on the synthesis, IR-spectra, powder XRD studies as well as the results of quantum-chemical calculations for [Ln(AP)6]I3, [Ln(AP)6](ClO4)3 (Ln = Sc, Y, La–Nd, Sm–Lu; AP – antipyrine, C11H12N2O) are presented. It was demonstrated that coordination of the ligand takes place through an oxygen atom of the antipyrine carbonyl group. The calculated results (DFT/PBE/L11) are in good agreement with the experimental ones.
ISSN:2410-6593
2686-7575