journal contribution posted on 09.05.2018, 15:36 by Marcelo Goulart, Martin Kuhn, Paul Martini, Lei Chen, Frank Hagelberg, Alexander Kaiser, Paul Scheier, Andrew M. Ellis
Ionic complexes between gold and C60 have been observed for the first time. Cations and anions of the type [Au(C60)2]+/– are shown to have particular stability. Calculations suggest that these ions adopt a C60–Au–C60 sandwich-like (dumbbell) structure, which is reminiscent of [XAuX]+/– ions previously observed for much smaller ligands. The [Au(C60)2]+/– ions can be regarded as Au(I) complexes, regardless of whether the net charge is positive or negative, but in both cases, the charge transfer between the Au and C60 is incomplete, most likely because of a covalent contribution to the Au–C60 binding. The C60–Au–C60 dumbbell structure represents a new architecture in fullerene chemistry that might be replicable in synthetic nanostructures.
This work was supported by the Austrian Science Fund FWF (Projects P26635, M1908, and P28979-N27) and the European Commission (ELEvaTE H2020 Twinning Project).
CitationJournal of Physical Chemistry Letters, 2018, 9, pp 2703–2706
Author affiliation/Organisation/COLLEGE OF SCIENCE AND ENGINEERING/Department of Chemistry
VersionAM (Accepted Manuscript)
Published inJournal of Physical Chemistry Letters
PublisherAmerican Chemical Society
NotesThe Supporting Information is available free of charge on the ACS Publications website at DOI: 10.1021/acs.jpclett.8b01047.
Computational methodology employed; calculated ionization energies and electron affinities; and calculated dissociation energies for various ions (PDF)
Structural information for the species studied (ZIP);The file associated with this record is under embargo until 12 months after publication, in accordance with the publisher's self-archiving policy. The full text may be available through the publisher links provided above.