Coordination of an Amino Alcohol Schiff Base Ligand Toward Cd(II)
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A potentially tetradentate Schiff base ligand, 2-((2-((pyridin-2-ylmethylene)amino)ethyl)amino)ethan-1-ol (PMAE), and its cadmium(II) complex, [Cd(PMAE)I2] (1), were prepared and characterized by elemental analysis, FT-IR, Raman, 1H and 13C NMR spectroscopies and single-crystal X-ray diffraction. In the crystal structure of 1, the cadmium atom has a slightly distorted square-pyramidal geometry and a CdN3I2 environment in which the PMAE acts as an N3-donor. In the crystal packing of the complex, the alcohol and amine groups of the coordinated ligands participate in hydrogen bonding with iodide ions and form R2 2(14) and R2 2(8) hydrogen bond motifs, respectively. In addition to the hydrogen bonds, the crystal network is stabilized by π–π stacking interactions between pyridine rings. The thermodynamic stability of the isolated ligand and its cadmium complex along with their charge distribution patterns were studied by DFT and NBO analysis.
Abstract
A potentially tetradentate Schiff base ligand, 2-((2-((pyridin-2-ylmethylene)amino)ethyl)amino)ethan-1-ol (PMAE), and its cadmium(II) complex, [Cd(PMAE)I2] (1), were prepared and characterized by elemental analysis, FT-IR, Raman, 1H and 13C NMR spectroscopies and single-crystal X-ray diffraction. In the crystal structure of 1, the cadmium atom has a slightly distorted square-pyramidal geometry and a CdN3I2 environment in which the PMAE acts as an N3-donor. In the crystal packing of the complex, the alcohol and amine groups of the coordinated ligands participate in hydrogen bonding with iodide ions and form R2 2(14) and R2 2(8) hydrogen bond motifs, respectively. In addition to the hydrogen bonds, the crystal network is stabilized by π–π stacking interactions between pyridine rings. The thermodynamic stability of the isolated ligand and its cadmium complex along with their charge distribution patterns were studied by DFT and NBO analysis.
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