Synthesis, structural chemistry, and properties of quasi-binary selenocyanates

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In the proposed project the formation, structural chemistry, chemical bonding, and chemical and physical properties of quasi-binary cyanates, thiocyanates, and selenocyanates will be investigated with a strong focus on selenocyanates. Main topic of those works are the phase-pure synthesis of the respective new compounds on a multi-gram scale, including new synthetic methodology, as well as their comprehensive structural characterization (single crystal and powder diffractometry) together with group-subgroup relations. Through chemical substitution of the cation, the chemical properties will be deliberately tuned. This will enable us to use the new compounds as starting materials for the related – molecular chemistry oriented – project within the group. Additionally, characterization of the compounds by theoretical (DFT) and experimental (spectroscopic) methods is an important goal.