Reconstituting C-Centered Hexagold(I) Clusters with <i>N</i>-Heterocyclic Carbene Ligands

Ubiquitous intramolecular aurophilic interactions in gold clusters have usually been assigned as the main determinants of their molecular geometry and various properties. By utilizing N-heterocyclic carbene (NHC) ligands instead phosphine which exclusively used, we developed ligand-specific photophysical properties C-centered hexagold(I) ([email protected]6) clusters. This account describes recent development carbene-protected [email protected]6 First all, a strong C–H?Au interaction was found key structural feature these These are also present newly emerged NHC-gold nanoclusters, but negligible counterparts. Interestingly, use NHC produces with nearly identical metal kernel, luminescence changes significantly. In addition, simple extension ?-conjugated system NHCs from imidazolylidene to benzimidazolylidene is expected produce significant both absorption coefficient emission wavelength. results show promising potential character modulation clusters, may help rational design for constructing functional N-Heterocyclic were successfully utilized reconstitute Strong C(sp3)–H…Au minimum gold-hydrogen distance 2.566 Å resulting Significantly enhanced shifted observed.