Send to:

Choose Destination
See comment in PubMed Commons below
J Am Chem Soc. 2003 Jul 16;125(28):8426-7.

Four-coordinate, planar RuII. A triplet state as a response to a 14-valence electron configuration.

Author information

  • 1Department of Chemistry and Molecular Structure Center, Indiana University, Bloomington, Indiana 47405, USA.


The ligand (tBu2PCH2SiMe2)2N1- (PNP) in [PNP]RuCl leads to an intermediate spin ground state, S = 1, which has been characterized by NMR and X-ray diffraction as having a planar structure. This spin state is attributed in part to N --> Ru pi donation. DFT calculations confirm that the singlet state lies higher in energy and is nonplanar. The molecule is converted to a diamagnetic product by addition of 2 mol of PhCN. The half-filled orbitals of the S = 1 state are suggested to be the reason agostic interactions do not compensate for the 14-valence electron count.

PubMed Commons home

PubMed Commons

How to join PubMed Commons

    Supplemental Content

    Full text links

    Icon for American Chemical Society
    Loading ...
    Write to the Help Desk