Computational Versus Experimental Spectroscopy for Transition Metals

摘要: Knowledge of the electronic structure transition-metal complexes is increasingly being obtained through joint efforts by theory and experiments. Here, we describe a variety examples where spectroscopy used to determine, e.g., oxidation state, spin or coordination environment around redox-active metal ions such as iron, manganese, nickel. Both enzymatic biomimetic systems are included, from literature our own laboratories. It shown that combined wet dry laboratories lead more profound understanding, allows for systematic exploration coordinate chemistry central atom.