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RESEARCH PRODUCT
Jahn–Teller effects in Au25(SR)18
Marcus A. TofanelliHannu HäkkinenBilly D. PhillipsSami MalolaKirsi SalorinneChristopher J. AckersonThomas W. NiBrian S. Newellsubject
ta114ChemistryMagnetismJahn–Teller effectNanoparticleJahn–Teller distortions02 engineering and technologyGeneral Chemistry010402 general chemistry021001 nanoscience & nanotechnology01 natural sciences0104 chemical sciencesNanoclusterslaw.inventionSQUIDCrystallographyOxidation statelawMolecule0210 nano-technologySingle crystalta116gold nanoclustersdescription
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.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2016-01-01 | Chemical Science |