The interaction of gold clusters Au 10 of different structural and charge states with various hydrocarbons was studied by the PBE density functional method. Saturated hydrocarbons interact weakly with the neutral cluster Au 10 , for charged Au 10 + the alkane-cluster bond energies increase threefold. Unsaturated hydrocarbons interact with cluster surface more strongly than saturated hydrocarbons, while coordination to the benzene ring is possible for aromatic compounds PhC 2 H, PhC 2 H 3 , and PhC 2 H 5 . The low coordinative gold atoms located on the peaks and edges of the cluster are the active adsorption site of the cluster. The appearance of a positive charge on the cluster leads to a greater increase in the hydrocarbon-gold cluster bond energy than the transition from the planar 2D structure to the three dimensional (3D) structure of the neutral cluster.