An <i>ab initio</i> investigation on aromaticities in semiconductor systems

Abstract

Second-order Moller–Plesset perturbation theory investigations indicate that the highly strained three- and four-membered semiconductor ring systems A3R3+, A2BR3+, GeSiCR3+ A3R3Ha, and A4R42+ (A,B=C,Si,Ge; R=H, SiH3; Ha=F, Cl, Br) exhibit aromaticities featured with the delocalized π orbitals perpendicular to the ring planes.