Based on NBO analysis, Bader's theory, and decomposition of the interaction energy, the unique properties of the C(sp³)...Cl halogen bond in carbanionic complexes were revealed. In contrast to “electrostatic” complexes of hydroxyl and halide anions, in complexes of alkyl carbanions, charge transfer makes the main contribution to the binding energy. The C(sp³)...Cl interaction is partially covalent, and the interaction energy grows very slowly with an increase in the electron density at BCP of the intermolecular contact. The nature of the halogen bonds involving the C(sp³) atom of alkyl carbanions is determined by the high energy of the carbon lone pair.

基于NBO分析，Bader理论和相互作用能的分解，揭示了碳负离子配合物中C（sp ³）... Cl卤素键的独特性质。与羟基和卤化物阴离子的“静电”络合物相反，在烷基碳负离子的络合物中，电荷转移是对结合能的主要贡献。C（sp ³）... Cl相互作用是部分共价的，并且相互作用能随着分子间接触BCP处电子密度的增加而非常缓慢地增长。涉及烷基碳负离子的C（sp ³）原子的卤素键的性质取决于碳孤对的高能。