Insights into the formation of chiral second sphere coordination complexes with aromatic tris amines: combined single crystal X-ray crystallography and molecular modeling analyses

A family of isostructural, chiral supramolecular networks have been obtained in the solid state by exploiting second sphere coordination interactions in the self-assembly of achiral tris amines L1 and L2 with tetrahalometallate and halide ions. Quantum-Mechanical (QM) calculations specific for solid phases provided additional insights into the intramolecular and packing interactions which determine chirality, pointing to a direct effect of the methyl groups of the central benzene ring.