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