Quantum chemistry methods were used to study the [Ag₂₄(trz)₁₈]ⁿ nanocage (0, +2, +4 and +6) with intention of obtaining new nanocages. Except for [Ag₂₄(trz)₁₈]⁶⁺, the nanocages at triplet state present lowest energy than singlet state. The large energy gap (3.75 eV) implies the higher chemical stability of [Ag₂₄(trz)₁₈]⁴⁺ (triplet state) and [Ag₂₄(trz)₁₈]⁶⁺ (singlet state). The nanocages with oxidation state of 0 and +2 at triplet state can act as conductors with energy gap below 1 eV. The results herein show that the new nanoclusters predicted may be used as sensors, as conductors, to encapsulate chemical species and in chemical reactions.

为了获得新的纳米笼，使用了量子化学方法来研究[Ag ₂₄（trz）₁₈ ] ⁿ纳米笼（0，+ 2，+ 4和+6）。除了[Ag ₂₄（trz）₁₈ ] ^6+之外，三重态的纳米笼比单重态的能量最低。较大的能隙（3.75 eV）表示[Ag ₂₄（trz）₁₈ ] ⁴⁺（三重态）和[Ag ₂₄（trz）₁₈ ] ^6+的化学稳定性更高（单一状态）。在三重态下氧化态为0和+2的纳米笼可以充当能隙低于1 eV的导体。本文的结果表明，预测的新的纳米簇可以用作传感器，导体，以封装化学物质并用于化学反应。