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.
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。