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Volumn 112, Issue 7, 2000, Pages 3394-3407

The binding of CO to nickel clusters. II. Structural implications and comparisons with electron counting rules

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EID: 0003312358     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.480499     Document Type: Article
Times cited : (32)

References (48)
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    • note
    • This result depends, of course, on the choice of the nickel cluster size, the vdW radius of carbon, and the Ni-C distance. None of these quantities are known exactly for any of the species considered here. The general agreement of the observed saturation levels at the FK→SK transition with predictions based on nonoverlapping vdW molecules is in some sense a validation of the commonly used 1.7 Å value for the vdW radius of carbon in the CO molecule.
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    • note
    • In our experiments, the exposure (CO pressure X time) is 12 mTorr X 0.8 ms or 9.6 mTorr ms. In the Vajda et al. experiments, the reaction time is given as 10 ms, and the CO plus He pressure was 0.38 mTorr (0.5 mbar), giving a product of 3.8 mTorr ms.
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    • note
    • A staggered configuration cannot be produced simply by rotating one ring of five CO molecules by 36° (which would reduce overlap), since the 1.9 Å distance between the carbon atom and both nickel atoms in the bridging site must be maintained. The net result is increased overlap compared to the eclipsed configuration.
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