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JOURNALS // Mendeleev Communications // Archive

Mendeleev Commun., 2023 Volume 33, Issue 5, Pages 601–604 (Mi mendc468)

This article is cited in 3 papers

Communications

Hexacoordinate germanium compounds with BIS-TRIS and amino acid ligands

I. S. Ignatyev, Yu. A. Kondratenko, D. V. Lezov, V. L. Ugolkov, T. A. Kochina

I.V. Grebenshchikov Institute of Silicate Chemistry, Russian Academy of Sciences, St. Petersburg, Russian Federation

Abstract: New germanium-containing compounds of the atrane family have been synthesized by reacting germanium glycinate, L-α-alaninate and L-valinate with [bis(2-hydroxyethyl)-amino][tris(hydroxymethyl)]methane (BIS-TRIS) and explored by FT-IR, NMR spectroscopy, thermal and elemental analysis. The fully local meta-GGA correlation functional (M06-L) was applied to investigate their equilibrium geometries. The derivatives of BIS-TRIS and triethanolamine have been investigated by computational screening via ADMET and PASS software.

Keywords: germatranes, triethanolamine, BIS-TRIS, 1-germatranol hydrate, amino acids, M06-L DFT method.

Language: English

DOI: 10.1016/j.mencom.2023.09.003



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