Jump to main content
Jump to site search


New complexity for aromatic ring agostic interactions

Author affiliations

Abstract

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 assisting the agostic interaction has significant implication for C–H bond activation chemistry.

Graphical abstract: New complexity for aromatic ring agostic interactions

Back to tab navigation
Please wait while Download options loads

Supplementary files

Publication details

The article was received on 14 Feb 2017, accepted on 03 Mar 2017, published on 03 Mar 2017 and first published online on 03 Mar 2017


Article type: Communication
DOI: 10.1039/C7CC01167A
Citation: Chem. Commun., 2017, Advance Article
  •   Request permissions

    New complexity for aromatic ring agostic interactions

    M. A. Sajjad, K. E. Christensen, N. H. Rees, P. Schwerdtfeger, J. A. Harrison and A. J. Nielson, Chem. Commun., 2017, Advance Article , DOI: 10.1039/C7CC01167A

Search articles by author