A Near-Infrared-Emissive Alkynyl-Protected Au-24 Nanocluster

摘要

An alkynyl-protected gold nanocluster [Au-24(CCPh)(14)(PPh3)(4)](SbF6)(2) has been prepared by a direct reduction method. Single-crystal X-ray diffraction reveals that the molecular structure contains a Au(22)core that is made of two Au-13-centered cuboctahedra that share a square face. Two staple-like PhCCAuCCPh motifs are located around the center of the rod-like Au(22)core. This Au-24 nanocluster is highly emissive in the near-infrared region with (max)=925nm and the nature of the HOMO-LUMO transition is investigated by time-dependent DFT calculations.