The proton affinity (PA) on the oxygen atom in silanol and siloxane derivatives is enhanced by the formation of tetrel bonds with small Lewis bases [B···R₃SiOH, B···R₃SiOSiR₃, B···R₃SiOSiR₃···B; B = H₂O, CO, NH₃, HCN, H₂S; R = H, Me], as shown by MP2/jul-cc-pVTZ calculations. The complexed systems become more basic than ether and other carbon-related compounds, and even more basic than pyridine in some specific cases, reaching values up to 959.4 kJ/mol (H₃N···H₃SiOSiH₃···NH₃ complex). Changes on PAs are directly related to very large binding energies for the protonated species. Topological methods and the natural bond orbital scheme are used to rationalize the observed trends. The PA enhancement should be taken into account when dealing with silanols and siloxanes in different environments.

中文翻译：

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通过四价键调节硅烷醇和硅氧烷衍生物的质子亲和力

硅醇和硅氧烷衍生物中氧原子上的质子亲和力（PA）通过与小的Lewis碱[B···R ₃ SiOH，B···R ₃ SiOSiR ₃，B···R ₃ SiOSiR ₃ ···B；B ＝ H ₂ O，CO，NH ₃，HCN，H ₂ S；R = H，Me]，如MP2 / jul-cc-pVTZ计算所示。复杂的系统比醚和其他与碳有关的化合物更碱性，在某些特定情况下甚至比吡啶更碱性，达到高达959.4 kJ / mol（H ₃ N···H ₃ SiOSiH ₃ ···NH ₃复杂的）。PA的变化与质子化物种的非常大的结合能直接相关。拓扑方法和自然键轨道方案用于合理化观察到的趋势。在不同环境中处理硅烷醇和硅氧烷时，应考虑PA的增强。