Bonding and aromaticity in an all-metal sandwich-like compound, Be-8(2-)

Chattaraj PK; Roy DR; Duley S

Chemical Physics Letters, Vol.460, No.1-3, 382-385, 2008

DOI10.1016/j.cplett.2008.06.005 Export Citation

Bonding and aromaticity in an all-metal sandwich-like compound, Be-8(2-)

A two-step substitution reaction: CpZnZnCp (D-5h) --> (+2Be32-)(-2Cp-) [Be3ZnZnBe3](2-) (D-3h) --> (+2Be+)(-2Zn+) [Be3BeBeBe3](2-) (D-3h) is studied at the B3LYP/6-311+G[d] level of theory. The resulting all-beryllium sandwich-like complex, Be-8(2-) is highly stable and aromatic. The ring-Be atoms show different reactivity towards hard and soft electro (nucleo) philes than the bond-Be atoms. (C) 2008 Elsevier B.V. All rights reserved.