New complexity for aromatic ring agostic interactions.
Density functional theory (DFT) calculations reveal that for ligand directed aromatic ring C-H bond activation, the agostic donation can share the same antibonding acceptor orbitals as a previously unrecognised π-donation from the aromatic ring of the ligand. The recognition of carbon based orbitals...
Main Authors: | , , , , , |
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Format: | Journal article |
Language: | English |
Published: |
Royal Society of Chemistry
2017
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