Synthesis, structure and DFT study of novel Ga(III) complexes containing a tetradentate ligand

Abstract

Abstract The synthesis, structure and density functional theory (DFT) calculations of two novel Ga(III) complexes, the first containing a tetradentate Schiff base ligand (L1) and the second containing a tetradentate carboxamide ligand (L2), are presented. The complexes are isolated as octahedral complexes with two water molecules attached to the axial positions. Both experimental and DFT calculations show that when [Ga(L1)(H2O)2].NO3 is dissolved in dimethyl sulfoxide (DMSO), spontaneous substitution of axial water groups by DMSO occur to form [Ga(L1)(DMSO)2].NO3.