A quasi-D3-symmetrical metal chalcogenide cluster constructed by the corner-sharing of two T3 supertetrahedra

Abstract

Discrete supertetrahedral clusters of metal chalcogenides are rare because of the difficulty involved in meeting global charge matching between the negative charge of the skeleton and counterion. We present herein the third type of a discrete chalcogenide cluster with a double T3 structure in the compound (HDBN)₆[In₂₀S₃₃(DBN)₆] (DBN = 1,5-diazabicyclo [4.3.0]-5-nonene), the anion of which features quasi-D₃ symmetrical double-T3 In₂₀S₃₃ supertetrahedra with six cornered indium atoms coordinated by DBN molecules. DFT theory calculations of the interaction between host and guest show that this compound may have high kinetic stability and low photoelectric reactivity.