From Chemistry Towards Technology Step-By-Step From Chemistry Towards Technology Step-By-Step От химии к технологии шаг за шагом 2782-1900 117282 10.52957/2782-1900-2026-7-1-114-124 Научные статьи Scientific articles Научные статьи Lanthanum(III) complex with 8-oxyquinoline: synthesis, spectral properties, and biological activity profile Lanthanum(III) complex with 8-oxyquinoline: synthesis, spectral properties, and biological activity profile Шубина Анна Александровна Shubina Anna Aleksandrovna annashubina100@gmail.com Орлова Татьяна Николаевна Orlova Tatyana Nikolaevna orl@bio.uniyar.ac.ru

кандидат химических наук;

candidate of chemical sciences;

 Ярославский государственный университет Ярославль Россия Yaroslavl State University Yaroslavl Russian Federation Ярославский государственный университет Ярославль Россия Yaroslavl State University Yaroslavl Russian Federation 02 04 2026 02 04 2026 7 1 114 124 24 11 2025 13 01 2025 https://chemintech.ru/en/nauka/article/117282/view

The research examines the coordination of lanthanum(III) compound with 8 oxyquinoline. The article analyses the synthesis method resulted in the formation of a yellow fine-crystalline precipitate. The structure and nature of ligand coordination with the metal ion were confirmed by physicochemical methods (electron and vibrational spectroscopy) and semi-empirical quantum chemical calculations (MOPAC//PM7). Electronic spectroscopy records a significant bathochromic shift (Δλ=72 nm). It indicates the formation of a stable complex. The research reveals the dependence of the complex stability on the pH of the medium, and identifies the its optimal pH range of 7.0–8.0. The theoretical part of the research includes quantum chemical modeling to evaluate the redistribution of electron density, and visualise the optimised geometry of the molecule. Moreover, computer analysis of biological activity and pharmacokinetic parameters (ADME-Tox) indicates the potential value of the synthesized complex as a compound with a modified and improved biological activity profile.

The research examines the coordination of lanthanum(III) compound with 8 oxyquinoline. The article analyses the synthesis method resulted in the formation of a yellow fine-crystalline precipitate. The structure and nature of ligand coordination with the metal ion were confirmed by physicochemical methods (electron and vibrational spectroscopy) and semi-empirical quantum chemical calculations (MOPAC//PM7). Electronic spectroscopy records a significant bathochromic shift (Δλ=72 nm). It indicates the formation of a stable complex. The research reveals the dependence of the complex stability on the pH of the medium, and identifies the its optimal pH range of 7.0–8.0. The theoretical part of the research includes quantum chemical modeling to evaluate the redistribution of electron density, and visualise the optimised geometry of the molecule. Moreover, computer analysis of biological activity and pharmacokinetic parameters (ADME-Tox) indicates the potential value of the synthesized complex as a compound with a modified and improved biological activity profile.

 8-oxyquinoline IR spectroscopy electron spectroscopy lanthanum complex formation coordination number complex stability PASS-online

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