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Acetylene Cyclotrimerization on Supported Size-Selected PdnClusters (1 ≤n≤ 30): One Atom Is Enough!

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Abbet, S., Sanchez, A., Heiz, U., Schneider, W.-D., Ferrari, A. M., Pacchioni, G., Rösch, N.·2000·Journal of the American Chemical Society

Abstract

We studied the cyclotrimerization of acetylene on size-selected Pd n clusters (1 ≤ n ≤ 30) supported on thin MgO(100) films by thermal desorption and Fourier transform infrared spectroscopy. Surprisingly, the production of benzene is already observed on a single palladium atom at low temperature (300 K). Using density functional theory (DFT) calculations we show that free inert Pd atoms are activated by charge transfer from defect sites of the MgO substrate upon deposition. For larger clusters (7 ≤ n ≤ 30) benzene is additionally produced at a temperature of 430 K and our results suggest the existence of a critical ensemble of seven palladium atoms for this high-temperature reaction mechanism.

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Metadata

Authors
Abbet, S., Sanchez, A., Heiz, U., Schneider, W.-D., Ferrari, A. M., Pacchioni, G., & Rösch, N.
Venue
Journal of the American Chemical Society
Published
2000-03-23
Volume
122
Issue
14
Pages
3453-3457
ISSN
  • 0002-7863 (ISSN-L)
  • 1520-5126
OpenAlex
W2010016085
Cited by
467
References
0
FWCI
13.88
Type
journal article
Language
en
Open access
green

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Abbet, S., Sanchez, A., Heiz, U., Schneider, W.-D., Ferrari, A. M., Pacchioni, G., & Rösch, N. (2000). Acetylene Cyclotrimerization on Supported Size-Selected PdnClusters (1 ≤n≤ 30): One Atom Is Enough! Journal of the American Chemical Society. https://doi.org/10.1021/ja9922476

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