Direct information on structure and energetic features of Cu+-Xe species formed in MFI-Type zeolite at room temperature

Hiroe Torigoe, Toshinori Mori, Kazuhiko Fujie, Takahiro Ohkubo, Atsushi Itadani, Kazuma Gotoh, Hiroyuki Ishida, Hiroki Yamashita, Takashi Yumura, Hisayoshi Kobayashi, Yasushige Kuroda

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15 Citations (Scopus)


The interacted species of Xe with metal ions that are stable at room temperature are not known and are a subject of interest for fundamental chemistry. We have experimentally found a new and stable Xe species, XeCu +, which was formed at room temperature in a copper ion-exchanged MFI-type zeolite. The presence of a prominent interaction between Cu+ in MFI and Xe, which has a covalent nature, was for the first time evidenced from experimental in situ synchrotron X-ray absorption fine structure and heat of adsorption measurements: the Cu+-Xe bond length of 2.45 - and the bonding energy of ca. 60 kJ mol-1. The bonding nature between Xe and Cu+ in the MFI zeolite was discussed utilizing density functional theory; the observed significant stabilization comes from the d(Cu+ in MFI)-p(Xe) orbital interaction. These new findings may pave a new way to developing fundamental chemistry of Xe compounds.

Original languageEnglish
Pages (from-to)2642-2650
Number of pages9
JournalJournal of Physical Chemistry Letters
Issue number18
Publication statusPublished - Sep 16 2010

ASJC Scopus subject areas

  • Materials Science(all)
  • Physical and Theoretical Chemistry


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