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

Research output: Contribution to journalArticle

11 Citations (Scopus)

Abstract

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
Volume116
Issue number19
DOIs
Publication statusPublished - May 17 2012

Fingerprint

Zeolites
Ethane
ethane
Copper
Chemical activation
X ray absorption
activation
Ions
copper
Cations
room temperature
Positive ions
fine structure
cations
ions
zeolites
Temperature
Density functional theory
x rays
Gases

ASJC Scopus subject areas

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

Cite this

Dual-copper catalytic site formed in CuMFI zeolite makes effective activation of ethane possible even at room temperature. / Itadani, Atsushi; Torigoe, Hiroe; Yumura, Takashi; Ohkubo, Takahiro; Kobayashi, Hisayoshi; Kuroda, Yasushige.

In: Journal of Physical Chemistry C, Vol. 116, No. 19, 17.05.2012, p. 10680-10691.

Research output: Contribution to journalArticle

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AU - Kobayashi, Hisayoshi

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