(1) Department of Chemistry and Biochemistry, Utah State University, Logan, UT 84322-0300, USA;
Abstract:
Abstract
We designed a series of small 3D gold clusters using a four-atomic tetrahedron with a four center–two electron (4c–2e) bond inside as a building block. The follow-up results of the unbiased global minimum searches proved that indeed the designed
3D structures containing small tetrahedral building blocks with a 4c–2e bond inside are either global minimum structures or low-lying isomers. We believe that the proposed way of building 3D clusters
could be used for rational design of other 3D gold clusters.