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 language | English |
|---|---|
| Pages (from-to) | 10680-10691 |
| Number of pages | 12 |
| Journal | Journal of Physical Chemistry C |
| Volume | 116 |
| Issue number | 19 |
| DOIs | |
| Publication status | Published - May 17 2012 |
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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 journal › Article
}
TY - JOUR
T1 - Dual-copper catalytic site formed in CuMFI zeolite makes effective activation of ethane possible even at room temperature
AU - Itadani, Atsushi
AU - Torigoe, Hiroe
AU - Yumura, Takashi
AU - Ohkubo, Takahiro
AU - Kobayashi, Hisayoshi
AU - Kuroda, Yasushige
PY - 2012/5/17
Y1 - 2012/5/17
N2 - 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.
AB - 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.
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U2 - 10.1021/jp3022858
DO - 10.1021/jp3022858
M3 - Article
AN - SCOPUS:84861653612
VL - 116
SP - 10680
EP - 10691
JO - Journal of Physical Chemistry C
JF - Journal of Physical Chemistry C
SN - 1932-7447
IS - 19
ER -