Department of Inorganic and Physical Chemistry, Indian Institute of Science, Bangalore-560012, India.
Dalton Trans. 2013 Aug 7;42(29):10633-9. doi: 10.1039/c3dt50601k.
The feasibility of using transition metal fragments to stabilize B2H4 in planar configuration by donating 2 electrons to the boron moiety is investigated. Building upon the existing theoretical and experimental data and aided by the isolobal analogy, the model transition metal complexes Cr(CO)4B2H4 (6), Mn(CO)CpB2H4 (7), Fe(CO)3B2H4 (8) and CoCpB2H4 (9) are chosen to illustrate this unique bonding feature--bond strengthening with π-back donation. Other possible types of complexes with B2H4 and the metal fragment are also explored and the energies are compared. One of the low energy isomers wherein the planar B2H4 interacts with the metal fragment in an in-plane fashion represents a unique case study for the Dewar-Chatt-Duncanson model. In this complex the back-donation from the metal fills the π bonding orbital between the two boron atoms thus forming a B=B double bond.
研究了通过向硼部分提供 2 个电子，使用过渡金属片段将 B2H4 稳定在平面构型中的可行性。基于现有的理论和实验数据，并借助等电子类比，选择模型过渡金属配合物 Cr(CO)4B2H4（6）、Mn(CO)CpB2H4（7）、Fe(CO)3B2H4（8）和 CoCpB2H4（9）来说明这种独特的键合特征——通过π-back 供体增强键。还探索了其他可能具有 B2H4 和金属片段的配合物，并比较了它们的能量。其中一种低能量异构体，其中平面 B2H4 以面内方式与金属片段相互作用，代表了 Dewar-Chatt-Duncanson 模型的一个独特案例研究。在这个配合物中，金属的 back-donation 填充了两个硼原子之间的π键轨道，从而形成了 B=B 双键。
