Thiolate-Protected Au-25 Superatoms as Building Blocks: Dimers and Crystals

Jaakko Akola, Katarzyna A. Kacprzak, Olga Lopez-Acevedo, Michael Walter, Henrik Gronbeck, Hannu Hakkinen*

*Corresponding author for this work

Research output: Contribution to journalArticleScientificpeer-review

Abstract

A particularly stable thiolate-protected gold nanocluster, Au-25(SR)(18), was structurally characterized from X-ray crystallography in 2008, and concomitantly its electronic and optical properties were analyzed via density functional theory. The robust geometry and a well-understood electronic structure of this cluster motivate explorations of properties of extended systems made out of Au-25(SR)(18) building blocks. As a first step in this direction, we analyze here structural, vibrational, electronic, and optical properties of the Au-25 cluster anion as it was observed in the crystalline environment and predict properties of cluster dimers, where the Au-25 units are linked together. via an aromatic dithiolate linker. We show that properties of each Au-25 unit of the dimer can be quite independently modified from the other by doping with a nonmagnetic (Pd) or magnetic (Mn) metal atom. We anticipate that material systems with interesting properties could be made from these building blocks, provided that a suitable chemistry for their controlled linking can be found.

Original languageEnglish
Pages (from-to)15986-15994
Number of pages9
JournalJournal of Physical Chemistry C
Volume114
Issue number38
DOIs
Publication statusPublished - 30 Sep 2010
MoE publication typeA1 Journal article-refereed

Keywords

  • SIMPLE METAL-CLUSTERS
  • GOLD CLUSTERS
  • MASS-SPECTROMETRY
  • AB-INITIO
  • NANOPARTICLES
  • DYNAMICS
  • AU
  • COMPLEXES
  • MOLECULES
  • COMPOUND

Cite this