The dianion [(Ph₂P(S))₂CLi₂(THF)]₂ 1 reacts with CO affording C−C bond formation and Ph₂P(S)-fragment migration. Subsequent reaction with N₂O cleaves a P−C bond generating an anionic ketene-derivative which cyclotrimerizes to give the hexa-substituted benzene derivative, [Ph₂P(S)COLi(THF)₂]₃ 6 regioselectively. The experimental observations are rationalized by a detailed theoretical study of the reaction mechanism by state-of-the-art DFT methods.

中文翻译：

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二锂甲烷与 CO 和 N2O 的反应：通往阴离子乙烯酮和六官能化苯的途径

二价阴离子 [(Ph ₂ P(S)) ₂ CLi ₂ (THF)] ₂ 1与 CO 反应，形成 C-C 键和 Ph ₂ P( S )-片段迁移。随后与 N ₂ O反应裂解 P-C 键，生成阴离子烯酮衍生物，其环三聚化以区域选择性地生成六取代苯衍生物 [Ph ₂ P(S)COLi(THF) ₂ ] ₃ 6。通过最先进的 DFT 方法对反应机理的详细理论研究，使实验观察合理化。