Jahn–Teller effects in Au25(SR)18
Tofanelli, M. A., Salorinne, K., Ni, T. W., Malola, S., Newell, B., Phillips, B., Häkkinen, H., & Ackerson, C. J. (2016). Jahn–Teller effects in Au25(SR)18. Chemical Science, 7(3), 1882-1890. https://doi.org/10.1039/C5SC02134K
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Chemical ScienceAuthors
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2016Copyright
© the Authors, 2016. The journal is © The Royal Society of Chemistry. This is an open access article licensed under a Creative Commons Attribution 3.0 Unported Licence.
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 Au25(SR)18. We present the single
crystal X-ray structures of the previously undetermined charge state Au25(SR)18+1, as well as a higher
quality single crystal structure of the neutral compound Au25(SR)180
. Structural data combined with
SQUID magnetometry and DFT theory enable a complete description of the optical and magnetic
properties of Au25(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.
...


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Except where otherwise noted, this item's license is described as © the Authors, 2016. The journal is © The Royal Society of Chemistry. This is an open access article licensed under a Creative Commons Attribution 3.0 Unported Licence.
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