Wang Z X, Manojkumar T K, Wannere C, Schleyer P R
Computational Chemistry Annex, Department of Chemistry, University of Georgia, Athens, Georgia 30602-2525, USA.
Org Lett. 2001 May 3;3(9):1249-52. doi: 10.1021/ol015573a.
Several potentially experimentally accessible lithiated heterocyclic and heteroatom compounds with planar tetracoordinate carbons (ptC) have been predicted computationally. These utilize the strong electron-donating ability and the bridging proclivity of lithium to achieve the ptC preferences. As the p orbitals on the central carbons are only partially occupied, their electronic structures are similar to those of the related carbenes, e.g. imidazole-2-ylidene, rather than to the other ptC compounds such as dilithiocyclopropane.
通过计算预测了几种可能通过实验获得的含平面四配位碳（ptC）的锂化杂环和杂原子化合物。这些化合物利用锂的强给电子能力和桥连倾向来实现对ptC的偏好。由于中心碳上的p轨道仅部分被占据，它们的电子结构与相关卡宾（如咪唑-2-亚基）的电子结构相似，而不是与其他ptC化合物（如二锂环丙烷）相似。
