화학공학소재연구정보센터
Chemical Physics Letters, Vol.443, No.4-6, 439-442, 2007
Aromaticity and electronic structure of silabenzenes. Possible existence of a new cluster Si6Li6
The electronic structure and properties of a silabenzene series have been studied using a bifurcation analysis of the sigma and pi separated new electron localization functions, ELF. In all studied molecules a strong pi interaction has been found which is independent of a weak sigma interaction. Finally, a new aromatic species, Si6Li6, is reported. Its electronic delocalization and stability is evaluated by cation-aromatic system interaction. (C) 2007 Elsevier B.V. All rights reserved.