Direct measurement of bending conformations in triatomic dihydride ions

The distributions of bond angles in the triatomic dihydride ion series CH2+, NH2+, and H2O+ have been studied using the Coulomb explosion imaging method. These distributions were measured as a function of the cooling of the internal degrees of freedom of these ions. The distribution for the coldest sample of CH2+ molecules shows the most probable structure to be bent with substantial tunneling through the linear conformation. The most probable geometry for NH2+ was found to be linear, though the angular distribution is significantly different from a shape of a 'harmonic-oscillator ground-state prediction. In the case of H2O+, we find a bent structure as expected from theory. Evidence. for a linear excited state in H2O+ is seen in the hotter distributions. Comparison to the adiabatic theoretical predictions shows good agreement with the most probable geometries. However, the measured distributions are systematically wider than the squared vibronic wave functions derived from the corresponding potential-energy surfaces.