Ammonia-Hydrogen Bromide and Ammonia-Hydrogen Iodide Complexes: Anion Photoelectron and ab Initio Studies

The ammonia-hydrogen bromide and ammonia-hydrogen iodide, anionic heterodimers were studied by anion photoelectron spectroscopy. fit complementary Studies, these anions and their neutral counterparts were also investigated via ab initio theory at the Coupled Cluster level. In both systems, neutral NH3 center dot center dot center dot HX dimers were predicted to be linear, hydrogen-bonded complexes, whereas their anionic dimers were found to be proton-transferred species of the form, (NH4+X). Both experimentally measured and theoretically predicted vertical detachment energies (VDE) are in excellent agreement for both systems, with values for (NH4+Br-)(-) being 0.65 and 0.67 eV, respectively, and values for (NH4+I-)(-) being 0.77 and 0.81 eV, respectively, These systems are discussed in terms of our previous study of (NH4+Cl-)(-).