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Elusive Zintl Ions [µ HSi4]3− and [Si5]2− in Liquid Ammonia: Protonation States, Sites, and Bonding Situation by NMR and Theory

Hastreiter, Florian ; Lorenz, Corinna ; Hioe, Johnny ; Gärtner, Stefanie ; Nanjundappa, Lokesh ; Korber, Nikolaus ; Gschwind, Ruth M.


The existence of [mu-HSi4](3-) in liquid ammonia solutions is confirmed by H-1 and Si-29 NMR experiments. Both NMR and quantum chemical calculations reveal that the H atom bridges two Si atoms of the [Si-4](4-) cluster, contrary to the expectation that it is located at one vertex Si of the tetrahedron. The calculations also indicate that in the formation of [mu-HSi4](3-), protonation is driven by ...


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