Aromaticity of some carbenes and their heavier analogs in light of gauge-including magnetically induced current approach as a new magnetic criterium

The computational method of gauge‐including magnetically induced current (GIMIC) was used at B3LYP/Def2‐TZVP level to test aromaticity of a series of carbenes and their heavier analogs. These were unsaturated N‐heterocyclic Arduengo‐type compounds 1 and their benzannulated analogs 2, as well as silylene and germylene 3. The magnitudes of induced current (IC) for various bonds were calculated and the isosurfaces of signed modulus of IC density were presented visually. The results obtained have demonstrated applicability of the GIMIC method to the 14th group carbene analogs studied as they confirm aromaticity of type 1 and 2 molecules and π‐conjugated but not aromatic nature of molecules 3 that was established previously using other aromaticity criteria. A nontrivial conclusion that germylenes of types 1 and 2 are more aromatic than silylenes is reinforced.