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Accueil du site > À la une > Monolayer-protected gold clusters : super-atoms or not

Monolayer-protected gold clusters : super-atoms or not

Xóchitl López-Lozano, G. Plascencia-Villa, G. Calero, R. L. Whetten and Hans-Christian Weissker, Nanoscale, 2017, 9, 18629 ; DOI : 10.1039/c7nr04764a ; Is the largest aqueous gold cluster a superatom complex ? Electronic structure & optical response of the structurally determined Au146(p-MBA)57

A number of monolayer-protected gold clusters have been crystallized and their structures experimentally determined, leading to excellent benchmarks against which to compare and check theory and simulations. In Nanoscale, 2017, 9, 18629-18634, we consider the new water-soluble gold cluster Au146(p-MBA)57, the structure of which has been recently determined at sub-atomic resolution by Vergara et al. It is the largest aqueous gold cluster ever structurally determined and likewise the smallest cluster with a stacking fault.

JPG - 60 ko

For a net charge -3 (three additional electrons) the cluster compound reaches 92 super-atom electrons, the number of electrons required for a potential major shell closing. Thus the question arises of whether Au146(p-MBA)57 should be regarded as a superatom complex. Starting from the experimental coordinates we have analyzed the angular-momentum-projected states. We show that the Au146(p-MBA)57 does not derive its stability from SAC character, in stark contrast to the Au144(SR)60 of almost exactly the same size.

Further reading

Sandra Vergara, Dylan A. Lukes, Michael W. Martynowycz, Ulises Santiago, Germán Plascencia-Villa, Simon C. Weiss, M. Jason de la Cruz, David M. Black, Marcos M. Alvarez, Xochitl López-Lozano, Christopher O. Barnes, Guowu Lin, Hans-Christian Weissker, Robert L. Whetten, Tamir Gonen, Miguel Jose Yacaman, and Guillermo Calero ; J. Phys. Chem. Lett. 2017, 8, 5523-5530, DOI : 10.1021/acs.jpclett.7b02621