title: Silver as an electron source for photodissociation of hydronium.
abstract: The photochemistry of a solvated hydronium ion near a silver surface is investigated using ab initio self-consistent field and configuration interaction theory. Photoinduced electron attachment can occur at energies in the range of 1.1-1.2 eV depending upon the initial orientation of the hydronium relative to the silver surface. Rearrangement of solvating waters considerably reduces transition state barriers to dissociation on the excited-state potential energy surface, such that fast dissociation of the neutralized hydronium would occur with no barrier. Both the H and H(2) product channels are exothermic pathways on the excited state surface and in several instances exothermic compared to the energy of the initial structure.
authors: Department of Chemistry, North Carolina State University, Raleigh, North Carolina 27695, USA. bnpapas@ncsu.edu
authors: B N
authors: BN
authors: Papas
authors: J L
authors: JL
authors: Whitten