Bonding and aromaticity in an all-metal sandwich-like compound, Be2-8

Chattaraj, Pratim Kumar ; Roy, Debesh Ranjan ; Duley, Soma (2008) Bonding and aromaticity in an all-metal sandwich-like compound, Be2-8 Chemical Physics Letters, 460 (1-3). pp. 382-385. ISSN 0009-2614

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Official URL: http://linkinghub.elsevier.com/retrieve/pii/S00092...

Related URL: http://dx.doi.org/10.1016/j.cplett.2008.06.005

Abstract

A two-step substitution reaction: is studied at the B3LYP/6-311+G[d] level of theory. The resulting all-beryllium sandwich-like complex, Be2-8 is highly stable and aromatic. The ring-Be atoms show different reactivity towards hard and soft electro (nucleo) philes than the bond-Be atoms.

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ID Code:6208
Deposited On:19 Oct 2010 11:57
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