A study to control chemical reactions using Si:2p Core ionization: Site-specific fragmentation

Shin Ichi Nagaoka, Hironobu Fukuzawa, Georg Prümper, Mai Takemoto, Osamu Takahashi, Katsuhiro Yamaguchi, Takuhiro Kakiuchi, Kiyohiko Tabayashi, Isao H. Suzuki, James R. Harries, Yusuke Tamenori, Kiyoshi Ueda

Research output: Contribution to journalArticlepeer-review

28 Citations (Scopus)


In an aim to create a "sharp" molecular knife, we have studied site-specific fragmentation caused by Si:2p core photoionization of bridged trihalosilyltrimethylsilyl molecules in the vapor phase. Highly site-specific bond dissociation has been found to occur around the core-ionized Si site in some of the molecules studied. The site specificity in fragmentation and the 2p binding energy difference between the two Si sites depend in similar ways on the intersite bridge and the electronegativities of the included halogen atoms. The present experimental and computational results show that for efficient "cutting" the following conditions for the two atomic sites to be separated by the knife should be satisfied. First, the sites should be located far from each other and connected by a chain of saturated bonds so that intersite electron migration can be reduced. Second, the chemical environments of the atomic sites should be as different as possible.

Original languageEnglish
Pages (from-to)8822-8831
Number of pages10
JournalJournal of Physical Chemistry A
Issue number32
Publication statusPublished - 2011 Aug 18

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry


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