LAUSR

Abstract Four 3-fold symmetrical hexabenzocoronene-bridged trinuclear alkynylgold(I) compounds with different isocyano groups have been synthesized and characterized by 1H, 13C NMR, HRMS (ESI) spectra and elemental analyses. The photophysical properties have been fully studied through UV − vis absorption and fluorescence emission spectra, combined with DFT/TDDFT theoretical calculations. The experimental results show that the optical properties of this large π-system is dominated by the c-HBC core with minor impact of isocyano-gold(I) component. In addition, the response of these large conjugated molecules to different anions was also studied by fluorescence emission spectroscopy. The research in this paper provides theoretical basis for the design and synthesis of functional molecular materials containing hexa-cata-hexabenzocoronenes (c-HBCs) and alkynylgold(I) units.