Physical Vapour Deposition of Iron(II) Complexes Based on Azolate Ligands

In this work, several new spin-crossover complexes, mostly based on azolate ligands, were designed and synthesised.

An important part of the design of new spin-crossover compounds is the prediction of the spin transition temperature of a designed complex. The quantum mechanical calculations performed in this work follow a protocol divised by FLÖSER in previous works, which is shortly presented in the beginning of this work.

The following three chapters describe the design processes, synthetic approaches and modifications of various complexes ordered by their constitution, starting with complexes based on three bidentate ligands. Here, a new complex based on a substituted pyridyl pyrrolide was found to show a profound difference in its spin state behaviour depending on whether it is investigated in the bulk material or in thin films. Afterwards, multiple modifications in the form of alternate substituents and heterocycles and their influence on the spin-crossover behaviour of the complexes are discussed.

Tridentate ligands, which offer higher stability and synthetic advantages, are the focus of the fifth chapter. As an exception to the general rule, it starts with two studies on a complex based on a pyrazolyl borate ligand, which was supported by quantum mechanical calculations by the author of this work, before proceeding to the design, synthesis, investigation and modification of tridentate pyridyl azolate ligands. Based on these investigations, the development of complexes that show light-induced spincrossover at relatively high temperatures may be within reach.

Finally, as an outlook to future research, some general principles as well as some first attempts to design and synthesise coordination polymers are described in the sixth chapter of this work. The goal of this work is to obtain spin-crossover complexes on surfaces that retain the desirable properties that are typically only observed in the solid state.

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