Structural diversity of manganese(II) complexes containing 2,2′-dipyridylamine and benzenedicarboxylates. Conformational analysis of tere-, iso- and phthalate ions: An experimental and quantum chemical approach

Four novel manganese(II) complexes with 2,2′-dipyridylamine (dipya) and various benzenedicarboxylate, BDC, ligands were hydrothermally synthesized and characterized by single-crystal X-ray diffraction, TG/DSC analysis and IR spectroscopy. A survey of the Cambridge Structural Database for BDC complexes was performed in order to analyze orientation of COO groups and the energies of various BDC conformers were calculated by different quantum chemical methods.