Complex formation and characterization of MgCl2/2-(2-ethylhexyloxy)ethanol adduct

Complex formation of MgCl2 with 2-(2-ethylhexyloxy)ethanol was studied by IR and NMR spectroscopic methods and molecular modeling to determine the binding mode of the alcohol to MgCl2. According to both experimental and theoretical studies, during the reaction of the alcohol and MgCl2, two alcohol molecules form an adduct with MgCl2 through the oxygen atoms of the alcohol and ether groups, giving rise to a chelated structure. Crystallization of the MgCl2/2-(2-ethylhexyloxy)ethanol complex was attempted by various methods. Toluene was used as solvent in the dissolution of MgCl2 in alcohol, and heptane was used to adjust the solubility of MgCl2 during the crystallization. Crystals piled up as thin plates. Single-crystal X-ray structure analysis revealed a chelated structure formed through the oxygen atoms of the ether and alcohol groups. Two water molecules are also bound to the magnesium, as seen in the IR spectrum of the crystals as well.