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...
Full description
Bibliographic Details
| Main Authors: |
Sajjad, M,
Christensen, K,
Rees, N,
Schwerdtfeger, P,
Harrison, J,
Nielson, A |
|---|
| Format: | Journal article
|
|---|
| Language: | English |
|---|
| Published: |
Royal Society of Chemistry
2017
|
|---|