Site-specific behavior in de-excitation spectra of F3SiCH 2CH2Si(CH3)3 in the Si 1s excitation region

I. H. Suzuki, A. Nitta, H. Fukuzawa, K. Ueda, O. Takahashi, Y. Tamenori, S. Nagaoka

研究成果: Article査読

10 被引用数 (Scopus)

抄録

Excitation (total ion yield) and de-excitation (resonant photoemission) spectra have been measured in the Si 1s photoexcitation region of the F 3SiCH2CH2Si(CH3)3 molecule using monochromatized undulator radiation. Theoretical calculations within the framework of density functional theory have reproduced the observed total ion yield spectrum very well. The first peak at the lowest photon energy, coming from Si 1s excitation at the trimethyl side into a vacant orbital, induces spectator Auger decays in which the excited electron remains in its valence orbital. The second peak produced through excitation of Si 1s electron at the trifluoride side generates resonant Auger decays in which the excited valence electron remains predominantly also in the valence orbital or is partly shaken up into higher Rydberg orbitals. The third peak generated through Si 1s excitation at the trifluoride side produces resonant Auger decays in which the excited Rydberg electron remains or is partly shaken down to a lower lying valence molecular orbital. These findings exhibit a clear distinction between resonant Auger decays following photoexcitation of Si 1s electrons under different chemical environments.

本文言語English
論文番号164309
ジャーナルJournal of Chemical Physics
131
16
DOI
出版ステータスPublished - 2009

ASJC Scopus subject areas

  • 物理学および天文学(全般)
  • 物理化学および理論化学

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