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

作者：Chattaraj Pratim Kumar^*; Roy Debesh Ranjan; Duley Soma

来源：Chemical Physics Letters, 2008, 460(1-3): 382-385.

DOI：10.1016/j.cplett.2008.06.005

A two-step substitution reaction: CpZnZnCp (D(5h)) --> (+2Be32-)(-2Cp-) [Be(3)ZnZnBe(3)](2-) (D(3h)) --> (+2Be+)(-2Zn+) [Be(3)BeBeBe(3)](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.

• 出版日期2008-7-20