Synthesis, spectroscopic and computational analysis of nickel integrated germanium clusters

Öğün, Sinem Esra
Nanomaterials are attracting great deal of attention due to their wide range of applications such as in medicine, catalysis and electronics. The use of clusters either as seeds to synthesize larger molecular clusters or in assembled cluster materials is a promising way to prepare new nanomaterials. In particular, the possibility of clusters serving molecular control to design and tuning their properties to fit a particular application makes them more attractive in the search of new advanced materials. Therefore, besides synthesis of new cluster materials, the characterization and understanding of their unique properties is one of the major goals of cluster science. Polyatomic main group clusters (Zintl ions) are great candidates to be used as “building-blocks” to prepare new cluster materials and they embody the potential to be used in applications such as bimetallic catalysis, photovoltaic devices, and light - emitting diodes. In this study, nickel (Ni) integrated germanium (Ge) Zintl ion clusters (i.e. [Ni2Ge9(PPh3)]2-, [Ni6Ge13(CO)5]4-) have been synthesized. The experimental characterization of spectroscopic properties, which have never been investigated before, has been performed. Vibrational, optical and electronic properties of Ni-Ge clusters have been investigated via UV-Vis, FTIR and Fluorescence spectroscopy. Moreover, frequency and time-dependent (TD) electronic transition calculations have been performed to complement the experimental results. The spectroscopic and computational findings are believed to contribute to the understanding and evaluation of cluster properties for their potential future applications.