Structures and aromaticities of carbon-rich semiconductor microclusters Ge[sub l]Si[sub m]C[sub n]: An ab initio study.

Density functional theory and second-order Moller–Plesset perturbation theory investigations show that carbon-rich semiconductor microclusters Ge[sub l]Si[sub m]C[sub n] (7≤s=l+m+n≤10 with n=5–8) possess linear or planar structures and the aromaticity of the singly- or doubly charged H-saturated planar derivatives with (4n+2) delocalized π electrons decreases with the increasing of noncarbon atoms. © 2003 American Institute of Physics. [ABSTRACT FROM AUTHOR]