From Chemistry Towards Technology Step-By-Step From Chemistry Towards Technology Step-By-Step От химии к технологии шаг за шагом 2782-1900 117281 10.52957/2782-1900-2026-7-1-31-42 Научные статьи Scientific articles Научные статьи Kompleks lantana(III) s 8-oksikhinolinom: sintez, spektral'nye svoistva i profil' biologicheskoi aktivnosti Комплекс лантана(III) с 8-оксихинолином: синтез, спектральные свойства и профиль биологической активности 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 24 03 2026 24 03 2026 7 1 31 42 24 11 2025 13 01 2026 https://ystu.editorum.ru/en/nauka/article/117281/view

Статья посвящена исследованию координационного соединения лантана(III) с 8-оксихинолином. В работе подробно описана методика синтеза, результатом которого стало получение желтого мелкокристаллического осадка. Подтверждение структуры и характера координации лиганда с ионом металла проводилось как физико-химическими методами (электронная и колебательная спектроскопия), так и полуэмпирическими квантово-химическими расчетами (MOPAC//PM7). Электронная спектроскопия зафиксировала значительный батохромный сдвиг (Δλ=72 нм), что указывает на образование устойчивого комплекса. Исследована зависимость устойчивости комплекса от pH среды, выявлен оптимальный диапазон pH = 7.0–8.0. Теоретическая часть исследования включала квантово-химическое моделирование, позволившее не только оценить перераспределение электронной плотности, но и визуализировать оптимизированную геометрию молекулы. Отдельное внимание уделено компьютерному прогнозированию биологической активности и фармакокинетических параметров (ADME-Tox), которые свидетельствуют о потенциальной ценности синтезированного комплекса как перспективного соединения с модифицированным и улучшенным профилем биологического действия.

Статья посвящена исследованию координационного соединения лантана(III) с 8-оксихинолином. В работе подробно описана методика синтеза, результатом которого стало получение желтого мелкокристаллического осадка. Подтверждение структуры и характера координации лиганда с ионом металла проводилось как физико-химическими методами (электронная и колебательная спектроскопия), так и полуэмпирическими квантово-химическими расчетами (MOPAC//PM7). Электронная спектроскопия зафиксировала значительный батохромный сдвиг (Δλ=72 нм), что указывает на образование устойчивого комплекса. Исследована зависимость устойчивости комплекса от pH среды, выявлен оптимальный диапазон pH = 7.0–8.0. Теоретическая часть исследования включала квантово-химическое моделирование, позволившее не только оценить перераспределение электронной плотности, но и визуализировать оптимизированную геометрию молекулы. Отдельное внимание уделено компьютерному прогнозированию биологической активности и фармакокинетических параметров (ADME-Tox), которые свидетельствуют о потенциальной ценности синтезированного комплекса как перспективного соединения с модифицированным и улучшенным профилем биологического действия.

 8-оксихинолин ИК спектроскопия электронная спектроскопия лантан комплексообразование координационное число устойчивость комплекса PASS-online.

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