Stabilization of hydrogen-substituted group 13–15 compounds H₂EE′H₂ (E = B, Al, Ga; E′ = P, As, Sb) by Lewis acids is considered at B3LYP/def2-TZVP, B3LYP-D3/def2-TZVP and M06-2X/def2-TZVP levels of theory. It is shown, that for many Lewis acids additional reactivity beyond the DA complex formation with H₂EE′H₂ monomer is expected. In case of complexation with E(C₆F₅)₃, F/H exchange reactions with group 13 bound hydrides are predicted to be exothermic and accompanied by the activation energies which are smaller than dissociation of the complex into components. In case of complex formation with transition metal (TM) carbonyls, additional O → Al, TM–C → Al interactions are observed, which in several cases lead to cyclic structures. The most promising candidates for the experimental studies have been identified. Synthetic approaches to the most promising LA-only stabilized compounds are recommended.

中文翻译：

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路易斯酸稳定的 13-15 族乙烯类似物

在 B3LYP/def2-TZVP、B3LYP-D3/ 中考虑了路易斯酸对氢取代基团 13-15 化合物 H ₂ EE'H ₂ （E = B、Al、Ga；E' = P、As、Sb）的稳定作用def2-TZVP 和 M06-2X/def2-TZVP 理论水平。结果表明，对于许多路易斯酸，除了与 H ₂ EE'H ₂单体形成 DA 复合物之外，还有额外的反应性。如果与 E(C ₆ F ₅ ) _3络合，与第 13 族结合的氢化物的 F/H 交换反应预计是放热的，并伴随着小于复合物离解成组分的活化能。在与过渡金属 (TM) 羰基化合物形成络合物的情况下，会观察到额外的 O → Al、TM–C → Al 相互作用，这在某些情况下会导致环状结构。已经确定了最有希望进行实验研究的候选者。推荐对最有前途的仅 LA 稳定化合物的合成方法。