Solvation of transition-metal ions and binding with biologically-relevant molecules as studied by infrared spectroscopy of gas-phase clusters

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Infrared (IR) spectra were measured for solvated metal ions prepared and size-selected in the gas phase. Quantum chemical calculations were carried out for predicting geometric structures and IR spectra of the ions. For hydration and ammonia solvation of Ag, Ni, Co, Fe, and V, relationship was established between electron configurations of the central metals and coordination structures of the solvated ions. Preliminary calculations were also performed for complexes of transition-metal ions with biologically-relevant and functional molecules.