Semiconducting silicon-phosphorus frameworks for caging exotic polycations.

Philip YoxAndrew P PorterRick W DornVictoria KyverygaAaron J Rossini Kirill Kovnir

Published in: Chemical communications (Cambridge, England) (2022)

A series of novel semiconductors AAe 6 Si 12 P 20 X (A = Na, K, Rb, Cs; Ae = Sr, Ba; X = Cl, Br, I) is reported. Their crystal structures feature a tetrahedral Si-P framework with large zeolite-like pores hosting two types of cations, monoatomic A + and unprecedented octahedral X@Ae 6 11+ . Mixing of the A and Ba cations was detected by single crystal X-ray diffraction and confirmed by multinuclear solid state NMR. The reported compounds are highly stable semiconductors with a bandgap range from 1.4 to 2.0 eV.

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