Hexacoordinate germanium compounds with BIS-TRIS and amino acid ligands

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.