A DFT stu dy on the fluorinated derivat ives of bo ron, alum inium, an d nitrogen substituted cyclic carbenes

Cyclic carbenes have been stimulated many chemists, in the recent years, both experimentally and computationa lly. The effects of introduction o f heteroatoms into the cyclic carbenes backbone and the ı-donor and ʌ-acceptor abilities of different s ubstituents h ave been studied on the cyclic carbenes to improve the ligand properties of these sy stems [۱, ۲] .

Keywords:

Cycli c carbene , Heat of hydrogenation , ¨ EHOMO-LUM O , Aromaticity , DFT