A rational synthetic approach to 2,3,4,5-tetraphenyl-1-monophosphole and its derivatives

A rational and highly efficient method to access lithium 2,3,4,5-tetraphenylphospholide directly from white phosphorus, diphenylacetylene and lithium has been developed. This novel convenient synthetic route has allowed the synthesis of novel 2,3,4,5-tetraphenyl-1-alkyl-monophospholes and their derivatives. The spatial and electronic structures of the obtained novel 2,3,4,5-tetraphenyl-1-isopropyl-monophosphole, its oxide and metal complexes have been characterized both experimentally (NMR and UV-Vis spectroscopies, X-ray analysis singlecrystal X-Ray diffraction) and with the use of computational approaches within time-dependent density functional theory allowing to get insight into the peculiarities of electronic states of the considered phospholes.

Automated summary

A rational and highly efficient method has been developed to access lithium 2,3,4,5-tetraphenylphospholide directly from white phosphorus, diphenylacetylene, and lithium. This novel synthetic route allows for the synthesis of novel 2,3,4,5-tetraphenyl-1-alkyl-monophospholes and their derivatives. The spatial and electronic structures of these phospholes have been characterized experimentally and computationally, providing insight into their electronic states.