Isolable N-heterocyclic carbene adducts of the elusive diiodophosphine.

M Cicač-HudiS H SchlindweinC M FeilMartin Nieger Dietrich Gudat

Published in: Chemical communications (Cambridge, England) (2018)

Reactions of PH-substituted phosphinidene-imidazolylidenes with I2 afford isolable NHC-adducts of the transient diiodophosphine PHI2. The products, which show a surprising structural diversity, are according to DFT studies best formulated as charge-transfer complexes of onio-substituted cationic phosphines with I- and are capable of reaction under formal transfer of an NHC-P+ unit.

Keyphrases

molecular docking
molecular dynamics simulations
density functional theory
electron transfer
molecular dynamics