A magnetic look into the protecting layer of Au25 clusters
Agrachev, M., Antonello, S., Dainese, T., Gasrcón, J. A., Pan, F., Rissanen, K., Ruzzi, M., Venzo, A., Zoleo, A., & Maran, F. (2016). A magnetic look into the protecting layer of Au25 clusters. Chemical Science, 7(12), Article 6910. https://doi.org/10.1039/c6sc03691k
Julkaistu sarjassa
Chemical ScienceTekijät
Päivämäärä
2016Tekijänoikeudet
© the Authors, 2016. This journal is © The Royal Society of Chemistry 2016. This is an open access article licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.
The field of molecular metal clusters protected by organothiolates is experiencing a very rapid growth. So
far, however, a clear understanding of the fine interactions between the cluster core and the capping
monolayer has remained elusive, despite the importance of the latter in interfacing the former to the
surrounding medium. Here, we describe a very sensitive methodology that enables comprehensive
assessment of these interactions. Pulse electron nuclear double resonance (ENDOR) was employed to
study the interaction of the unpaired electron with the protons of the alkanethiolate ligands in four
structurally related paramagnetic Au25(SR)0
18 clusters (R ¼ ethyl, propyl, butyl, 2-methylpropyl). Whereas
some of these structures were known, we present the first structural description of the highly symmetric
Au25(SPr)0
18 cluster. Through knowledge of the structural data, the ENDOR signals could be successfully
related to the types of ligand and the distance of the relevant protons from the central gold core. We
found that orbital distribution affects atoms that can be as far as 6 A from the icosahedral core. ˚
Simulations of the spectra provided the values of the hyperfine coupling constants. The resulting
information was compared with that provided by 1
H NMR spectroscopy, and molecular dynamics
calculations provided useful hints to understanding differences between the ENDOR and NMR results. It
is shown that the unpaired electron can be used as a very precise probe of the main structural features
of the interface between the metal core and the capping ligands.
...
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2041-6520Asiasanat
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