The bonds and aromaticities of [NgB_xO_y]⁺ (Ng = Ar, Kr and Xe; x = 3 ∼ 5, y = 5 ∼ 7) were studied by quantum chemistry methods. [NgB_xO_y]⁺ was confirmed to be aromatic by various methods, and the trends were proposed as follows: For compounds with the same boroxol ring, the order of aromaticity is [ArB_xO_y]⁺ > [KrB_xO_y]⁺ > [XeB_xO_y]⁺; For compounds with different boroxol ring, the order of aromaticity is [NgB₃O₅]⁺ > [NgB₄O₆]⁺ > [NgB₅O₇]⁺. The conjugation effects were found among the 3c-2e π bonds on the boroxol ring and the 3c-2e π bond on the exocyclic B-O-B branches as well as the lone electron-pair orbitals of Ng atoms. Such conjugation effects are favorable to the expansion of the delocalization region but unfavorable to aromaticity. AIM results show that the Ng-B (Ng = Kr and Xe) bonds are covalent, while the Ar-B bond except that of [ArB₃O₅]⁺ is covalent partially. The bond dissociation energy (BDE) order of Ng-B bond in compounds with the same boroxol ring is [XeB_xO_y]⁺ > [ArB_xO_y]⁺ > [KrB_xO_y]⁺, and the BDE order of Ng-B bond in compounds with different boroxol ring is [NgB₃O₅]⁺ > [NgB₄O₆]⁺ ≈ [NgB₅O₇]⁺. Therefore, [XeB_xO_y]⁺ are credible candidates for the experimental synthesis researches.

通过量子化学方法研究了[NgB _x O _y ] ⁺（Ng = Ar，Kr和Xe； x = 3〜5，_y = 5〜7）的键和芳香性。[NgB _x O _y ] ⁺通过多种方法证实为芳香族，其趋势如下：对于具有相同环硼氧烷环的化合物，芳香性的顺序为[ArB _x O _y ] ⁺ > [KrB _x O _y ] ⁺ > [XeB _x O _y ] ⁺ ; 对于具有不同环硼氧烷环的化合物，芳族顺序为[NgB ₃ O ₅] ⁺ > [NgB ₄ O ₆ ] ⁺ > [NgB ₅ O ₇ ] ⁺。在硼环的3c-2eπ键和环外BOB分支的3c-2eπ键以及Ng原子的孤对电子对轨道中发现了共轭效应。这种共轭作用有利于离域区域的扩大，但不利于芳香性。AIM结果表明，Ng-B键（Ng = Kr和Xe）是共价的，而除[ArB ₃ O ₅ ] ⁺以外的Ar-B键是部分共价的。具有相同硼氧杂环戊烷环的化合物中Ng-B键的键离解能（BDE）顺序为[XeB _xO _y ] ⁺ > [ArB _x O _y ] ⁺ > [KrB _x O _y ] ⁺，而具有不同硼环的化合物中Ng-B键的BDE顺序为[NgB ₃ O ₅ ] ⁺ > [NgB ₄ O ₆ ] ⁺ ≈[NgB ₅ O ₇ ] ⁺。因此，[XeB _x O _y ] ⁺是进行实验合成研究的可靠候选者。