By M Green; Royal Society of Chemistry Staff
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The AIM analysis predicts that each carbon is connected to one hydrogen atom and four aluminium atoms, that each aluminium is connected to one hydrogen and three carbons and that each bridging hydrogen is connected to four aluminium atoms. 08. The structures, binding energies and electron affinities of aluminium-carbon clusters A1,C (n = 1-8) have been studied at the DFT level using the PBE f ~ n c t i o n a lThe . ~ ~ reactivity of the cluster towards oxygen is determined by the energy required to remove an A1 atom from the cluster and the electron affinity of the cluster.
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57D F calculations show that sequential loss of CO ligands from [(q-C6H6)Cr(Co)3]oii+ makes higher spin states more accessible, especially for the cationic species. ” syn Complexation of the benzonorborn- 22 Organometallic Chemistry enyl cation by { Cr(CO),} supplants the non-classical interaction of the carbocation with an aromatic C = C bond via Cr(d)+C+(pj donation (6 cf. 63 PM3 calculations suggest that it is possible to stabilise exohedral q6-complexes of c 6 0 and C70 with M(q-C3H3)(M = Co, Rhj being ideally suited to this purpose.