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Stereoselective effects, formation thermodynamics, substitution reaction kinetics, and structures of transition metal complexes with bioligands and aromatic N-donors

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Abstract

A brief review presents the results obtained by our research team in recent years on the structures (in the solid state and in solution), thermodynamics, stereoselectivity of the formation, and the kinetics of substitution reactions for a number of homo- and mixed-ligand complexes of some 3d elements with enantiomerically homogeneous and racemic forms of amino acids, natural di- and tripeptides, aromatic N-donors, new phosphorylated dithiocarbamates and hydrazone derivatives at different salt concentrations at several temperatures. Reliable results were obtained using spectroscopic methods, including spectrophotometry, EPR, and NMR relaxation, X-ray diffraction analysis, the stopped-flow method with spectrophotometric detection, and pH-metry in combination with mathematical modeling using a number of modern, including our own, programs. The structures of the complexes in solution were characterized by DFT quantum chemical calculations and molecular dynamics simulations. The key factors controlling the stereo-selectivity of the complex formation, the stability of complexes, and the kinetics of ligand substitution reactions were revealed.

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Authors and Affiliations

  1. A. M. Butlerov Chemical Institute, Kazan Federal University, 18 ul. Kremlevskaya, 420008, Kazan, Russian Federation

    V. G. Shtyrlin, N. Yu. Serov, M. S. Bukharov, E. M. Gilyazetdinov, M. A. Zhernakov, M. A. Ahmed, A. R. Garifzyanov, I. I. Mirzayanov, A. V. Ermolaev, N. S. Aksenin, K. V. Urazaeva & A. V. Zakharov

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  1. V. G. Shtyrlin
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  2. N. Yu. Serov
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  9. A. V. Ermolaev
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  11. K. V. Urazaeva
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  12. A. V. Zakharov
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Corresponding author

Correspondence to V. G. Shtyrlin.

Additional information

The study was financially supported by the Government Program for Enhancing Competitive Ranking of Kazan Federal University, the Subsidy allocated to Kazan Federal University for the state assignment in the sphere of scientific activities by the Ministry of Science and Higher Education of the Russian Federation (Program No. 0671-2020-0061), and the Russian Science Foundation (Project Nos 16-3300674, 16-33-00691, 18-33-20072, and 20-33-90235).

No human or animal subjects were used in this research.

The authors declare no competing interests.

Based on the materials of the XIX International Conference “Spectroscopy of Coordination Compounds” (September 18–23, 2022, Tuapse, Russia).

Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, Vol. 72, No. 7, pp. 1485–1498, July, 2023.

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Shtyrlin, V.G., Serov, N.Y., Bukharov, M.S. et al. Stereoselective effects, formation thermodynamics, substitution reaction kinetics, and structures of transition metal complexes with bioligands and aromatic N-donors. Russ Chem Bull 72, 1485–1498 (2023). https://doi.org/10.1007/s11172-023-3926-7

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  • DOI: https://doi.org/10.1007/s11172-023-3926-7

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