The Nature of β‐Agostic Bonding in Late‐Transition‐Metal Alkyl Complexes

Abstract

Experimental charge density analyses reveal significant differences between the nature of β-agostic bonding in early- and late-transition-metal (M) complexes. For dn-configurated M alkyl compounds, the β-agostic interaction can be described by a modified Dewar–Chatt–Duncanson model with three σ/π bonding components, whereas one delocalized orbital is sufficient to account for the hyperconjugative stabilization in agostic d0 systems. Detailed facts of importance to specialist readers are published as ”Supporting Information”. Such documents are peer-reviewed, but not copy-edited or typeset. They are made available as submitted by the authors. Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.