A Carbene-Stabilized Boryl-Phosphinidene

Chemistry. 2022 Jun 1;28(31):e202200913. doi: 10.1002/chem.202200913. Epub 2022 Apr 13.

Abstract

Herein, the synthesis and characterization of the carbene-stabilized boryl phosphinidenes 1-3 are reported. Compounds 1-3 are obtained by reacting Me-cAAC=PK (Me2 -cAAC=dimethyl cyclic(alkyl)(amino)carbene) and dihaloaryl borane in toluene. All three compounds were characterized by X-ray crystallography. Quantum mechanical studies indicated that these compounds have two lone pairs on the P center viz., an σ-type lone pair and a "hidden" π-type lone pair. Hence, these compounds can act as double Lewis bases, and the basicity of the π-type lone pair is higher than the σ-type lone pair.

Keywords: bent geometry; boryl phosphinidenes; cyclic(alkyl)(amino)carbenes; molecular orbitals; phosphaalkenes.