Synthesis, characterization, and density functional study of some manganese(III) Schiff-base complexes

Abstract

Some Mn(III) complexes of N,N′-(2-hydroxy)propylenebis(acetylacetoneimine) (abbreviated to H₂L¹) and N,N′-(2-hydroxy)propylenebis(2-imino-3-oximino)butane (abbreviated to H₂L²), [Mn(III)(Lig)(X)] (where Lig stands for the dianion of the Schiff-base ligands and X stands for CH₃COO⁻, Cl⁻, Br⁻, I⁻) were synthesized. The complexes are characterized with the help of elemental analyses, magnetic moments, spectroscopic data (UV-Vis, infrared), and molecular weight determination (measured by Rast's method). The structures of the complexes were obtained using density functional theory (DFT). DFT calculation shows that 1–4 and 8 are trigonal-bipyramidal whereas 5–7 are square-pyramidal.

Keywords:

• Manganese(III) complexes
• Density functional study
• Vibrational spectra
• Trigonal-bipyramidal geometry

Acknowledgments

One of us (KD) is grateful to the University Grants Commission, New Delhi for Emeritus Fellowship and Financial grants to conduct this work. We are also grateful to the Sophisticated Instrumentation Facility, Central Drug Research Institute, Lucknow, India for elemental analyses and spectroscopic data. Facilities provided by the DST, Govt. of India, New Delhi under FIST are also gratefully acknowledged. We also thank the reviewers for their valuable comments.