Characterization of the malate-aluminum(III) complex using 1H and 27Al NMR spectroscopy

Structural elucidation of a malate-aluminum(III) complex has been carried out using H-1 and Al-27 NMR spectroscopy. The H-1 chemical shift perturbation clearly indicated the interaction between malate and Al(III) ion. The measurements of Al-27 NMR and H-1-(13) C HSQC spectra demonstrated that the major form of a complex comprised two equivalent malate ions and two unequivalent A1(III)) ions. With this constraint, an equilibrium geometry of the complex was proposed by a semi-empirical molecular orbital calculation. Copyright (C) 2007 John Wiley & Sons, Ltd.