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首页> 外文期刊>Acta Crystallographica, Section B. Structural science, crystal engineering and materials >Investigation of interactions in Lewis pairs between phosphines and boranes by analyzing crystal structures from the Cambridge Structural Database
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Investigation of interactions in Lewis pairs between phosphines and boranes by analyzing crystal structures from the Cambridge Structural Database

机译：通过分析剑桥结构数据库晶体结构磷油和硼砂与硼砂与硼糖对相互作用的研究

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摘要

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 BH_3 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).
机译：通过从剑桥结构数据库（CSD）的数据分析数据，研究了晶体结构中的晶体和硼烷之间的相互作用。膦与硼酸盐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组，而第三种涉及令人沮丧的刘易斯对（FLP）。数据使能结构中的几何参数与具有古典刘易斯对的膦-硼烷FLP进行比较。大多数晶体结构（78.1％）含有Bh_3作为硼烷组。在这些系统中，硼 - 磷距离短于硼原子被除氢原子以外的基团包围的系统。对CSD数据的分析表明，FLPS在所有膦硼烷对中的最长硼 - 磷距离以及不同的其他几何参数的趋势。结果表明，在晶体结构中发现的大多数令人沮丧的磷酸硼烷对是桥接器。非桥接FLP结构的少数含有磷和硼原子旁，其他杂原子（例如，例如，o，n，s）。

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