title: Characterization of electronically excited states in anionic acetonitrile clusters.
abstract: We have identified and examined the excited state of the cluster-solvated, valence-bound acetonitrile anion dimer, consistent with recent experimental findings, determining that the cluster excited state is of predominantly single-excitation character. Potential energy surface scans in coordinates specific to a "dissociative" normal mode common between the excited and ground states of the valence anion as well as the ground-state neutral dimer species shed light on the proposed vibrational autodetachment mechanism, with calculated excited-state lifetime consistent with experiment.
authors.affiliation: Department of Chemistry, University of California, Berkeley, CA 94720, USA. julianazar2323@berkeley.edu
authors.forename: Julian
authors.initials: J
authors.lastname: Azar
authors.forename: Westin
authors.initials: W
authors.lastname: Kurlancheek
authors.forename: Martin
authors.initials: M
authors.lastname: Head-Gordon