Hydrothermal Synthesis, Characterization, and Natural Bond Orbital Analysis of a Complex With Pyridinedicarboxylic Acid and N-Donor Ligand: 2-Methyldipyrido[3,2-f:2′,3′-h]quinoxaline

Abstract

The complex [Mn(Medpq)(QUI)·H2O]n·nH2O 1 (H2QUI = 2,3-pyridinedicarboxylic acid, Medpq = 2-Methyldipyrido[3,2-f:2′,3′-h]quinoxaline) has been hydrothermally synthesized and structurally characterized by elemental analysis, IR spectrum, TG, single-crystal X-ray diffraction, UV–Vis spectrum, and theoretical calculations. In the crystal structure, the manganese atom is six-coordinated with three nitrogen atoms and three oxygen atoms from one Medpq ligand, one QUI ligand, and its symmetric QUI ligand, showing a slightly distorted octahedral geometry. Furthermore, it exhibits a one-dimensional structure with Medpq-Mn-QUI as building units. The complex 1 extends 3D supramolecular structure through the hydrogen bonds, and the π-π stacking interactions enhance the stability of the complex.