The relationship between oxidation state, structure, and magnetism is well-described for coordination compounds by the Jahn-Teller theorem. This relationship is not well defined for ligated nanocluster compounds and nanoparticles, especially the nano-technologically relevant thiolate protected metal clusters. Here we interrogate the relationships between structure, magnetism, and oxidation state for the three stable oxidation states of the model thiolate protected nanocluster Au25(SR)18. Here we present single crystal x-ray structures of previously indeterminate charge states. The high quality single crystal x-ray structure enables an analysis of the packing interactions that allow crystallization of this compound. Structural data combined with SQUID magnetometry and DFT theory enable a complete description of the optical and magnetic properties of Au25(SR)18 in its 3 stable oxidation states.

Jahn-Teller-like distortions in Au25(SR)18

249th National Meeting (2015)

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.