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] .

کلیدواژه ها:

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