Current work

1. The four atom gold dianion exhibits special stability which  has been attributed to aromaticity. We are examining the nature of the bonding in Au₄^2- using the quantum theory of atoms in molecules (with Cherif Matta, SMU, Abdolreza Sadjadi and Kono Lemke, UHK).
   

2. We are examining the properties of free gold nanostructures which exhibit helical geometries (with Xiao-Jing Liu, PDF, and Peter Schwerdtfeger, CTCP). Supported gold nanorods have been studied experimentally by Kondo and Takayanagi, JST and Tokyo Institute of Technology, Japan.

3. We are examining H atom transfer for Au_nSH₂ complexes to form HAu_nSH. In Au_NSH₂ the S atom is bonded to a single Au atom and the structural integrity of the gold cluster remains intact. In HAu_NSH the S atom is bridge bonded to two Au atoms and is incorporated into the gold cluster. 

Recent work

1. We have examined the reactions of small anionic gold clusters and pyridine (with Xiao-Jing Liu, PDF). We have shown that Au_n^- can activate the C-H bond in C₅H₅N and that [Au_n-CH₄N]^- is produced via a stepwise mechanism.

2. We have examined the many-body decomposition for small gold clusters (with Peter Schwerdtfeger, CTCP). We found that, although the PM6 semiempirical approch and the Glue potential gave qualitatively correct representations of the many-body contributions for 1D and 2D geometries, these methods were qualitatively incorrect for 3D geometries and a fully quantum method must be employed.

3. We have examined the thermochemistry of reactions of small cationic gold clusters and hydrogen sulphide. The reactions of Au_n⁺ and H₂S have been studied experimentally by Ko-ichi Sugawara, Nanotechnology Research Institute, Japan. A dramatic alternation in reactivity is observed as the cluster size increases.