MODIFICATION OF LANTHANUM OXIDE La 2 O 3  ON THE STRUCTURE OF SUPRASTRUCTURAL UNITS IN ALKALI BORATS

B. S. Vorontsov; Воронцов Б. С.; V. V. Moskvin; Москвин В. В.; I. A. Babina; Бабина И. А.

doi:10.31857/S0235010623030118

MODIFICATION OF LANTHANUM OXIDE La₂O₃ ON THE STRUCTURE OF SUPRASTRUCTURAL UNITS IN ALKALI BORATS

Авторлар: Vorontsov B.S.¹, Moskvin V.V.¹, Babina I.A.²
Мекемелер:
1. Kurgan State University
2. South Ural State University (National Research University)
Шығарылым: № 3 (2023)
Беттер: 241-249
Бөлім: Articles
URL: https://rjmseer.com/0235-0106/article/view/661294
DOI: https://doi.org/10.31857/S0235010623030118
EDN: https://elibrary.ru/PRFFNS
ID: 661294

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Аннотация

It shows a significant change in structurally sensitive properties in the experiment of modifying a melt (or glass) of the B₂O₃–Na₂O system with lanthanum oxide La₂O₃ with the destruction of superstructural units when lanthanum atoms hit, since small additions of rare earth metal oxides lead to a significant change in the properties of alkali borate melts. Molecular models of some of the superstructural units, the structure and properties of which were calculated by semi-empirical quantum chemical methods with MNDO and PM7 parameters: as a result of the optimization procedure, both methods lead to models that are qualitatively close, but differ in bond lengths, and practically the same value of heat of formation. The superstructural unit of the considered type is preserved, while its characteristics change: the volume occupied by it increases, the newly formed bond is less strong and its ionic degree is greater.

Негізгі сөздер

structural fragments, lanthanum atom, molecular models, modification, superstructural units, model experiment

Әдебиет тізімі

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