Accurate potential surfaces for the ground state of H+C 2 reaction

Three-dimensional potential energy surfaces (PESs) have been computed, and numerically fitted, for the ground states of C 2 H system, which are of importance for the smallest carbon cluster, dicarbon (C 2 ) and dynamical study of the H–CC dissociation reaction. An accurate and over larger region of configuration space PES are produced. The potential shown that the linear dissociation path is the favorite for H–CC. Graphical abstract