from 01.01.2022 to 01.01.2024
Yaroslavl, Yaroslavl, Russian Federation
Yaroslavl, Yaroslavl, Russian Federation
UDC 546.654
UDC 547.831.7
Stat'ya posvyaschena issledovaniyu koordinacionnogo soedineniya lantana(III) s 8-oksihinolinom. V rabote podrobno opisana metodika sinteza, rezul'tatom kotorogo stalo poluchenie zheltogo melkokristallicheskogo osadka. Podtverzhdenie struktury i haraktera koordinacii liganda s ionom metalla provodilos' kak fiziko-himicheskimi metodami (elektronnaya i kolebatel'naya spektroskopiya), tak i poluempiricheskimi kvantovo-himicheskimi raschetami (MOPAC//PM7). Elektronnaya spektroskopiya zafiksirovala znachitel'nyy batohromnyy sdvig (Δλ=72 nm), chto ukazyvaet na obrazovanie ustoychivogo kompleksa. Issledovana zavisimost' ustoychivosti kompleksa ot pH sredy, vyyavlen optimal'nyy diapazon pH = 7.0–8.0. Teoreticheskaya chast' issledovaniya vklyuchala kvantovo-himicheskoe modelirovanie, pozvolivshee ne tol'ko ocenit' pereraspredelenie elektronnoy plotnosti, no i vizualizirovat' optimizirovannuyu geometriyu molekuly. Otdel'noe vnimanie udeleno komp'yuternomu prognozirovaniyu biologicheskoy aktivnosti i farmakokineticheskih parametrov (ADME-Tox), kotorye svidetel'stvuyut o potencial'noy cennosti sintezirovannogo kompleksa kak perspektivnogo soedineniya s modificirovannym i uluchshennym profilem biologicheskogo deystviya.
8-oksihinolin, IK spektroskopiya, elektronnaya spektroskopiya, lantan, kompleksoobrazovanie, koordinacionnoe chislo, ustoychivost' kompleksa, PASS-online.
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