1,3-Bis(2,6-diisopropylphenyl)-2-trichloromethylimidazolidine

Abstract

A new chloroform adduct of the N-heterocyclic carbene (NHC) 1,3-bis(2,6-diisopropylphenyl)imidazolidin-2-ylidene (SIPr) has been prepared via C–H bond activation of the chloroform at the carbene carbon. This redox product was crystallized and was characterized by ¹H and ¹³C-NMR spectroscopy, elemental analysis (EA), and single-crystal X-ray diffraction. The ¹H and ¹³C-NMR spectroscopic data are in agreement with the crystal structure. Density functional theory (DFT) calculations were performed as a means for comparison to experimental data and the computational results are in agreement with those obtained experimentally.