title: REACTION DYNAMICS. Spectroscopic observation of resonances in the F + H2 reaction.
abstract: Photodetachment spectroscopy of the FH2(-) and FD2(-) anions allows for the direct observation of reactive resonances in the benchmark reaction F + H2 → HF + H. Using cooled anion precursors and a high-resolution electron spectrometer, we observe several narrow peaks not seen in previous experiments. Theoretical calculations, based on a highly accurate F + H2 potential energy surface, convincingly assign these peaks to resonances associated with quasibound states in the HF + H and DF + D product arrangements and with a quasibound state in the transition state region of the F + H2 reaction. The calculations also reveal quasibound states in the reactant arrangement, which have yet to be resolved experimentally.
authors.affiliation: Department of Chemistry, University of California, Berkeley, CA 94720, USA.
authors.forename: Jongjin B
authors.initials: JB
authors.lastname: Kim
authors.affiliation: Department of Chemistry, University of California, Berkeley, CA 94720, USA.
authors.forename: Marissa L
authors.initials: ML
authors.lastname: Weichman
authors.affiliation: Department of Chemistry, University of California, Berkeley, CA 94720, USA.
authors.forename: Tobias F
authors.initials: TF
authors.lastname: Sjolander
authors.affiliation: Department of Chemistry, University of California, Berkeley, CA 94720, USA. Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA. dneumark@berkeley.edu mha@umd.edu david.manolopoulos@chem.ox.ac.uk.
authors.forename: Daniel M
authors.initials: DM
authors.lastname: Neumark
authors.affiliation: Department of Chemistry and Biochemistry, University of Maryland, College Park, MD 20742, USA.
authors.forename: Jacek
authors.initials: J
authors.lastname: Kłos
authors.affiliation: Department of Chemistry and Biochemistry, University of Maryland, College Park, MD 20742, USA. Institute for Physical Science and Technology, University of Maryland, College Park, MD 20742, USA. dneumark@berkeley.edu mha@umd.edu david.manolopoulos@chem.ox.ac.uk.
authors.forename: Millard H
authors.initials: MH
authors.lastname: Alexander
authors.affiliation: Department of Chemistry, Oxford University, Physical and Theoretical Chemistry Laboratory, South Parks Road, Oxford OX1 3QZ, UK. dneumark@berkeley.edu mha@umd.edu david.manolopoulos@chem.ox.ac.uk.
authors.forename: David E
authors.initials: DE
authors.lastname: Manolopoulos