Spectroscopic and Theoretical Studies on Metal Complexes
Our group possesses a strong expertise in spectroscopy and theoretical investigations of molecular compounds. Our favorite objects are paramagnetic metal complexes, spin-coupled species, and compounds featuring open-shell radical ligands. The experimental data obtained from crystallography, electronic absorption, IR, Raman, NMR, EPR, Mössbauer spectroscopy, and magnetic measurements are analyzed in detail, explained and correlated with corresponding theoretical calculations at the density functional theory (DFT) level. We use this approach in joint projects helping our collaborators to understand their molecular systems with non-trivial electronic structures and intriguing spectroscopic properties.
Dinuclear Iron(III) and Cobalt(III) Complexes Featuring a Biradical Bridge: Their Molecular Structures and Magnetic, Spectroscopic, and Redox Properties.
D. Mondal, M. C. Majee, S. Kundu, M. Mörtel, G. Abbas, A. Endo, M. M. Khusniyarov,* M. Chaudhury,*
Inorg. Chem. 2018, 57, 1004–1016. link
Tuning Spin-Spin Coupling in Quinonoid-Bridged Dicopper(II) Complexes through Rational Bridge Variation.
D. Schweinfurth, M. M. Khusniyarov,* D. Bubrin, S. Hohloch, C.-Y. Su, B. Sarkar,*
Inorg. Chem. 2013, 52, 10332–10339. link
Square-Planar Iridium(II) and Iridium(III) Amido Complexes Stabilized by a PNP Pincer Ligand.
J. Meiners, M. G. Scheibel, M.-H. Lemée-Cailleau, S. A. Mason, M. B. Boeddinghaus, T. F. Fässler, E. Herdtweck, M. M. Khusniyarov,* S. Schneider,*
Angew. Chem. Int. Ed. 2011, 50, 8184–8187. link
Synthesis, Structure, and Reactivity of an Iron(V) Nitride.
J. J. Scepaniak, C. S. Vogel, M. M. Khusniyarov, F. W. Heinemann, K. Meyer,* J. M. Smith,*
Science 2011, 331, 1049–1052. link