TY - JOUR
T1 - Auger decay of molecular double core-hole and its satellite states
T2 - Comparison of experiment and calculation
AU - Tashiro, Motomichi
AU - Nakano, Motoyoshi
AU - Ehara, Masahiro
AU - Penent, Francis
AU - Andric, Lidija
AU - Palaudoux, Jérôme
AU - Ito, Kenji
AU - Hikosaka, Yasumasa
AU - Kouchi, Noriyuki
AU - Lablanquie, Pascal
N1 - Funding Information:
M.T. acknowledges support from Japan Society for the Promotion of Science (KAKENHI Grant No. 23750029). We thank the PF staff for the stable operation of the storage ring. This work was performed with the approval of the PF Program Advisory Committee (Proposal No. 2010G621). Financial support from CNRS (PICS No. 5364) is acknowledged.
PY - 2012/12/14
Y1 - 2012/12/14
N2 - Auger decay of the C2H2 double core-hole (DCH) states, including the single-site DCH (C1s-2), two-site DCH (C1s -1C1s-1), and satellite (C1s-2π -1π*+1) states, has been investigated experimentally using synchrotron radiation combined with multi-electron coincidence method, and theoretically with the assumption of the two-step sequential model for Auger decay of the DCH states. The theoretical calculations can reproduce the experimental two-dimensional Auger spectra of the C 2H2 single-site DCH and satellite decays, and allow to assign the peaks appearing in the spectra in terms of sequential two-electron vacancy creations in the occupied valence orbitals. In case of the one-dimensional Auger spectrum of the C2H2 two-site DCH decay, the experimental and calculated results agree well, but assignment of peaks is difficult because the first and second Auger components overlap each other. The theoretical calculations on the Auger decay of the N2 single-site DCH state, approximately considering the effect of nuclear motion, suggest that the nuclear motion, together with the highly repulsive potential energy curves of the final states, makes an important effect on the energy distribution of the Auger electrons emitted in the second Auger decay.
AB - Auger decay of the C2H2 double core-hole (DCH) states, including the single-site DCH (C1s-2), two-site DCH (C1s -1C1s-1), and satellite (C1s-2π -1π*+1) states, has been investigated experimentally using synchrotron radiation combined with multi-electron coincidence method, and theoretically with the assumption of the two-step sequential model for Auger decay of the DCH states. The theoretical calculations can reproduce the experimental two-dimensional Auger spectra of the C 2H2 single-site DCH and satellite decays, and allow to assign the peaks appearing in the spectra in terms of sequential two-electron vacancy creations in the occupied valence orbitals. In case of the one-dimensional Auger spectrum of the C2H2 two-site DCH decay, the experimental and calculated results agree well, but assignment of peaks is difficult because the first and second Auger components overlap each other. The theoretical calculations on the Auger decay of the N2 single-site DCH state, approximately considering the effect of nuclear motion, suggest that the nuclear motion, together with the highly repulsive potential energy curves of the final states, makes an important effect on the energy distribution of the Auger electrons emitted in the second Auger decay.
UR - http://www.scopus.com/inward/record.url?scp=84871223490&partnerID=8YFLogxK
U2 - 10.1063/1.4769777
DO - 10.1063/1.4769777
M3 - 学術論文
C2 - 23249002
AN - SCOPUS:84871223490
SN - 0021-9606
VL - 137
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
IS - 22
M1 - 224306
ER -