Dual-copper catalytic site formed in CuMFI zeolite makes effective activation of ethane possible even at room temperature

Atsushi Itadani, Hiroe Torigoe, Takashi Yumura, Takahiro Ohkubo, Hisayoshi Kobayashi, Yasushige Kuroda

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11 Citations (Scopus)


The role of dual-cation sites in zeolites has received a renaissance in chemistry and industry directed toward fixation and activation of various gases; such sites may be expected to be more efficient than a single-cation site. We aimed to clarify the real active centers in the copper-ion-exchanged MFI-type zeolite (CuMFI) for ethane (C 2H 6). A peculiar feature was found in the appearance of the characteristic IR bands at 2644 and 2582 cm -1 when C 2H 6 was adsorbed on Cu + formed in CuMFI. The existence of dual species composed of two Cu + ions bridging C 2H 6 was clearly indicated by extended X-ray absorption fine structure (EXAFS) data. Density functional theory calculations gave clear evidence that the two IR bands are distinctly due to C 2H 6 adsorbed on the dual-Cu + site and not on a single site; this agrees with the EXAFS data. These data lead us to conclude that the dual-Cu + site in the CuMFI sample is indispensable for efficient activation of C 2H 6 through the simultaneous interaction of C 2H 6 with two Cu + ions.

Original languageEnglish
Pages (from-to)10680-10691
Number of pages12
JournalJournal of Physical Chemistry C
Issue number19
Publication statusPublished - May 17 2012


ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Energy(all)
  • Physical and Theoretical Chemistry
  • Surfaces, Coatings and Films

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