The role of water molecules in the dissociation of an electron-molecule contact pair.

ABSTRACT: The hydrated electron, e^-_(aq), is a potent reducing agent and a prototypical quantum solute. Reactions of e^-_(aq) often involve a contact pair comprised of a molecule and electron that are hydrated within a single sphere. However, a molecular-level understanding of the solvent-driven coordinate that links the contact pair to the free dissociated e^-_(aq) remains elusive. Here, we study this coordinate by kinetically trapping representative metastable intermediates as gas-phase clusters and probing them using photoelectron spectroscopy. We apply this methodology to uracil-water anion clusters, where key intermediates are identified with supporting quantum chemical calculations. Just a single water molecule drives the parent mole

SUBMITTER: Clarke CJ 

PROVIDER: S-EPMC11876569 | biostudies-literature | 2025 Mar

REPOSITORIES: biostudies-literature