Abstract
Topological analysis of the experimental and theoretical electron densities in [EtTiCl3(dmpe)] (dmpe = Me2PCH2CH2PMe2) suggests the presence of a (3, –1) bond critical point (CP) between titanium and the β-agostic hydrogen atom; the characteristic curvature in the Ti–Cα bond is proposed as a more general criterion for identifying a β-agostic interaction.
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