TY - JOUR
T1 - Deexcitation dynamics of superhydrogenated polycyclic aromatic hydrocarbon cations after soft-x-ray absorption
AU - Reitsma, G.
AU - Boschman, Leon
AU - Deuzeman, M. J.
AU - González-Magaña, O.
AU - Hoekstra, S.
AU - Cazaux, S.
AU - Hoekstra, R.
AU - Schlathölter, Thomas
PY - 2014
Y1 - 2014
N2 - We have investigated the response of superhydrogenated gas-phase coronene cations upon soft x-ray absorption. Carbon (1s) transitions were resonantly excited at hν=285eV. The resulting core hole is then filled in an Auger decay process, with the excess energy being released in the form of an Auger electron. Predominantly highly excited dications are thus formed, which cool down by hydrogen emission. In superhydrogenated systems, the additional H atoms act as a buffer, quenching loss of native H atoms and molecular fragmentation. Dissociation and transition state energies for several H loss channels were computed by means of density functional theory. Using these energies as input into an Arrhenius-type cascade model, very good agreement with the experimental data is found. The results have important implications for the survival of polyaromatic hydrocarbons in the interstellar medium and reflect key aspects of graphene hydrogenation.
AB - We have investigated the response of superhydrogenated gas-phase coronene cations upon soft x-ray absorption. Carbon (1s) transitions were resonantly excited at hν=285eV. The resulting core hole is then filled in an Auger decay process, with the excess energy being released in the form of an Auger electron. Predominantly highly excited dications are thus formed, which cool down by hydrogen emission. In superhydrogenated systems, the additional H atoms act as a buffer, quenching loss of native H atoms and molecular fragmentation. Dissociation and transition state energies for several H loss channels were computed by means of density functional theory. Using these energies as input into an Arrhenius-type cascade model, very good agreement with the experimental data is found. The results have important implications for the survival of polyaromatic hydrocarbons in the interstellar medium and reflect key aspects of graphene hydrogenation.
UR - http://www.scopus.com/inward/record.url?scp=84905571770&partnerID=8YFLogxK
U2 - 10.1103/PhysRevLett.113.053002
DO - 10.1103/PhysRevLett.113.053002
M3 - Article
AN - SCOPUS:84905571770
SN - 0031-9007
VL - 113
JO - Physical Review Letters
JF - Physical Review Letters
IS - 5
M1 - 053002
ER -