Investigating the optical properties of these clusters specifically is of great importance when designing materials with tailored optical and electronic properties for future applications. Both the absorption and emission behavior is strongly coupled to the underlying electronic structure which is, in turn, related to the cluster's geometry and the elements from which it is assembled. Thus, the optical properties deliver information on both the electronic structure as well as the geometric connection of the atoms.

One way of studying these optical properties is the photodissociation spectroscopy where absorption spectra of clusters can be recorded by tracking certain fragmentation channels mass spectrometrically as a function of the laser energy. By matching experimental data with results from advanced quantum chemistry, more information about the system under investigation can be obtained. Consequently, this spectroscopic method can be used as a tool for structure elucidation and spin state determination.

For the electronic behavior or the electronic structure of a system, the redox potential is an important quantity. However, the measurement of the redox potential of clusters can only be determined via their ionization potential (Methods ). With the aid of ionization spectroscopy, it is possible to determine this precisely and, in combination with quantum chemistry, to draw conclusions about the electronic structure of the clusters.