| Autor: |
Tofanelli MA; Department of Chemistry , Colorado State University , Fort Collins , Colorado 80523 , USA . Email: ackerson@colostate.edu., Salorinne K; Departments of Chemistry and Physics , Nanoscience Center , University of Jyväskylä , FI-40014 Jyväskylä , Finland., Ni TW; Department of Chemistry , Colorado State University , Fort Collins , Colorado 80523 , USA . Email: ackerson@colostate.edu., Malola S; Departments of Chemistry and Physics , Nanoscience Center , University of Jyväskylä , FI-40014 Jyväskylä , Finland., Newell B; Department of Chemistry , Colorado State University , Fort Collins , Colorado 80523 , USA . Email: ackerson@colostate.edu., Phillips B; Departments of Chemistry and Physics , Nanoscience Center , University of Jyväskylä , FI-40014 Jyväskylä , Finland., Häkkinen H; Departments of Chemistry and Physics , Nanoscience Center , University of Jyväskylä , FI-40014 Jyväskylä , Finland., Ackerson CJ; Department of Chemistry , Colorado State University , Fort Collins , Colorado 80523 , USA . Email: ackerson@colostate.edu. |
| Abstrakt: |
The relationship between oxidation state, structure, and magnetism in many molecules is well described by first-order Jahn-Teller distortions. This relationship is not yet well defined for ligated nanoclusters and nanoparticles, especially the nano-technologically relevant gold-thiolate protected metal clusters. Here we interrogate the relationships between structure, magnetism, and oxidation state for the three stable oxidation states, -1, 0 and +1 of the thiolate protected nanocluster Au 25 (SR) 18 . We present the single crystal X-ray structures of the previously undetermined charge state Au 25 (SR) 18 +1 , as well as a higher quality single crystal structure of the neutral compound Au 25 (SR) 18 0 . Structural data combined with SQUID magnetometry and DFT theory enable a complete description of the optical and magnetic properties of Au 25 (SR) 18 in the three oxidation states. In aggregate the data suggests a first-order Jahn-Teller distortion in this compound. The high quality single crystal X-ray structure enables an analysis of the ligand-ligand and ligand-cluster packing interactions that underlie single-crystal formation in thiolate protected metal clusters. |
