| Literature DB >> 22462826 |
Jürgen Troe1, Thomas M Miller, Albert A Viggiano.
Abstract
Previously determined experimental data for thermal attachment of electrons to SF(6) and thermal detachment from SF(6)(-) over the range 590-670 K are reevaluated by a third-law analysis. Recent high precision calculations of SF(6)(-) harmonic frequences and anharmonicities (for several of the modes) lead to considerable changes in modeled vibrational partition functions which then have to be accommodated for by a smaller value of the derived adiabatic electron affinity EA of SF(6). The previously estimated value of EA = 1.20 (±0.05) eV in this way is reduced to a value of EA = 1.03 (±0.05) eV. In addition, the bond dissociation energy E(0,dis) for SF(6)(-) → SF(5)(-) + F is reduced to E(0,dis) = 1.44 (±0.05) eV. Finally, the consequences for modeled specific rate constants k(det)(E,J) of electron detachment from SF(6)(-) are discussed.Mesh:
Year: 2012 PMID: 22462826 DOI: 10.1063/1.3698170
Source DB: PubMed Journal: J Chem Phys ISSN: 0021-9606 Impact factor: 3.488