With the aim of determination of electronic and geometrical structures of mixed-ligand complexes, theoretical modeling of the structures of coordination compounds of transition metals with dialkyldithiophosphate chelating ligands with aminobenzimidazoles carried out using quantum chemical methods. Using BIOVIA Materials Accelrys Studio 2017 software packages, the geometry, electron density distribution, and frontier orbitals calculated for the mixed ligand complexes of Au(III), Pt(II), Ag(I), Cu(II), Ni(II), Fe(III), which are necessary for understanding the electronic structure of coordination compounds with chelating ligands.
Botakoz, ESBERGENOVA; Shakhlo, DAMINOVA; Zuhra, KADIROVA; and Khasan, SHARIPOV
"CONFIGURATION AND COMPETITIVE REACTIVITY OF LIGANDS IN MIXED LIGAND COMPLEXES OF DIALKYLDITIOPHOSPHATES AND AMINOBENBENZIMIDAZOLE (Part I: Au, Pt, Ag),"
CHEMISTRY AND CHEMICAL ENGINEERING: Vol. 18
, Article 2.
Available at: https://uzjournals.edu.uz/cce/vol18/iss2/2