Coulomb explosion imaging: the CH2+, H2O+ and NH2+ ions as benchmarks

In a previous paper we calculated the average distribution of bending angles for CH2+ ions at 300 K using ab initio surfaces for the pair of Renner interacting ground state potentials in order to test the results of Coulomb explosion imaging (CEI) experiments. Here we calculate state selected bending angle distributions, and Boltzmann-averaged bond length distributions for CH2+ in order to inspire more CEI experiments. Using published potential energy curves for H2O+ and NH2+, we predict their bending angle distributions (and that of ND2+) to provide further benchmarks to test the CEI method.