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Article Dans Une Revue Communications Chemistry Année : 2024

Assignment of individual structures from intermetalloid nickel gallium cluster ensembles

Résumé

Poorly selective mixed-metal cluster synthesis and separation yield reaction solutions of inseparable intermetalloid cluster mixtures, which are often discarded. High-resolution mass spectrometry, however, can provide precise compositional data of such product mixtures. Structure assignments can be achieved by advanced computational screening and consideration of the complete structural space. Here, we experimentally verify structure and composition of a whole cluster ensemble by combining a set of spectroscopic techniques. Our study case are the very similar nickel/gallium clusters of M12, M13 and M14 core composition Ni6+xGa6+y (x + y ≤ 2). The rationalization of structure, bonding and reactivity is built upon the organometallic superatom cluster [Ni6Ga6](Cp*)6 = [Ga6](NiCp*)6 (1; Cp* = C5Me5). The structural conclusions are validated by reactivity tests using carbon monoxide, which selectively binds to Ni sites, whereas (triisopropylsilyl)acetylene selectively binds to Ga sites.

Domaines

Chimie
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Dates et versions

hal-04479196 , version 1 (27-02-2024)

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Maximilian Muhr, Johannes Stephan, Lena Staiger, Karina Hemmer, Max Schutz, et al.. Assignment of individual structures from intermetalloid nickel gallium cluster ensembles. Communications Chemistry, 2024, Communications Chemistry, 7 (1), pp.29. ⟨10.1038/s42004-024-01110-9⟩. ⟨hal-04479196⟩
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