The interactions between phosphines and boranes in crystal structures have been investigated by analyzing data from the Cambridge Structural Database (CSD). The interactions between phosphines and boranes were classified into three types; two types depend on groups on the boron atom, whereas the third one involves frustrated Lewis pairs (FLPs). The data enabled geometric parameters in structures to be compared with phosphine–borane FLPs with classical Lewis pairs. Most of the crystal structures (78.1%) contain BH₃ as the borane group. In these systems, the boron–phosphorus distance is shorter than systems where the boron atom is surrounded by groups other than hydrogen atoms. The analysis of the CSD data has shown that FLPs have a tendency for the longest boron–phosphorus distance among all phosphine–borane pairs, as well as different other geometrical parameters. The results show that most of the frustrated phosphine–borane pairs found in crystal structures are bridged ones. The minority of non‐bridged FLP structures contain, beside phosphorus and boron atoms, other heteroatoms (O, N, S for instance).

中文翻译：

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通过分析剑桥结构数据库中的晶体结构，研究膦和硼烷之间的路易斯对中的相互作用。

通过分析来自剑桥结构数据库（CSD）的数据，研究了膦与硼烷在晶体结构中的相互作用。膦与硼烷之间的相互作用分为三种类型：两种类型取决于硼原子上的基团，而第三种类型涉及受挫的路易斯对（FLP）。数据使结构中的几何参数可以与具有经典路易斯对的膦-硼烷FLP进行比较。大部分晶体结构（78.1％）含有BH ₃作为硼烷族。在这些系统中，硼与磷的距离比硼原子被氢原子以外的基团所包围的系统要短。对CSD数据的分析表明，在所有膦-硼烷对中，FLP都有最长的硼-磷距离趋势，以及其他不同的几何参数。结果表明，在晶体结构中发现的大多数受挫的膦-硼烷对都是桥接的。少数非桥联FLP结构除磷和硼原子外还包含其他杂原子（例如O，N，S）。