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

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Abstract

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.

About the Authors

N. S. Rukk
M.V. Lomonosov Moscow State University of Fine Chemical Technologies, 86, Vernadskogo pr., Moscow 119571
Russian Federation


R. S. Shamsiev
M.V. Lomonosov Moscow State University of Fine Chemical Technologies, 86, Vernadskogo pr., Moscow 119571
Russian Federation


V. V. Kravchenko
M.V. Lomonosov Moscow State University of Fine Chemical Technologies, 86, Vernadskogo pr., Moscow 119571
Russian Federation


A. Yu. Skryabina
M.V. Lomonosov Moscow State University of Fine Chemical Technologies, 86, Vernadskogo pr., Moscow 119571
Russian Federation


V. V. Zamalyutin
M.V. Lomonosov Moscow State University of Fine Chemical Technologies, 86, Vernadskogo pr., Moscow 119571
Russian Federation


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For citation:


Rukk N.S., Shamsiev R.S., Kravchenko V.V., Skryabina A.Yu., Zamalyutin V.V. Spectral and quantum-chemical research of antipyrine derivatives of some rare earth elements complex compounds. Fine Chemical Technologies. 2012;7(6):69-74. (In Russ.)

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ISSN 2410-6593 (Print)
ISSN 2686-7575 (Online)