The metal-hydrogen exchange reaction of LiMe KOMe 1:1 complex with CH4 is first examined, and its reactivity is found to be quite similar to that displayed by LiMe alone. On this basis, other possible aggregations are studied. The 1:3 complex, in which Me- and Li+ are kept ca. 3.5 � apart by three K+ ions and three negative oxygen atoms, respectively, is particular interesting. Its formation is computed to be easier than that of 3:1 tetramer. On the basis of its structural and electronic features, this complex can be considered a good candidate as a reactive metalating species.

Ab initio theoretical study of the reactivity as bases or nucleophiles of potassium and lithium methides

GHIGO, Giovanni;TONACHINI, Glauco;
1997

Abstract

The metal-hydrogen exchange reaction of LiMe KOMe 1:1 complex with CH4 is first examined, and its reactivity is found to be quite similar to that displayed by LiMe alone. On this basis, other possible aggregations are studied. The 1:3 complex, in which Me- and Li+ are kept ca. 3.5 � apart by three K+ ions and three negative oxygen atoms, respectively, is particular interesting. Its formation is computed to be easier than that of 3:1 tetramer. On the basis of its structural and electronic features, this complex can be considered a good candidate as a reactive metalating species.
10
885
897
G. GHIGO; TONACHINI G; FOSSEY J
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/2318/5776
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