Synthesis, crystal structure, EPR, and DFT studies of an unusually distorted vanadium() complex

We report the synthesis and structure of the most highly distorted four-coordinate d 3 ion known to date that also serves as the second known example of a bis(biphenolato) transition metal complex. We demonstrate the application of density functional theory to calculate the magnetic parameters derived from the experimental and simulated EPR spectra. Hyperfine coupling constants predicted by DFT in the most highly distorted four-coordinate d 3 (V II ) ion exhibit exceptional agreement with EPR.