Direct Determination of a Giant Zero-Field Splitting of 5422 cm<sup>–1</sup> in a Triplet Organobismuthinidene by Infrared Electron Paramagnetic Resonance
Tarek Al Said, Davide Spinnato, K. Holldack, Frank Neese, Josep Cornellà, Alexander Schnegg
Abstract
High Resolution Image Download MS PowerPoint Slide Stable monocoordinated organobismuthinidenes were only recently isolated and analyzed toward their chemical and electronic structure. Quantum chemical calculations on t Bu-M S Fluind-Bi(I) ( 2 ) predicted an unusual electronic structure dominated by a triplet ground state and a spectacular zero-field splitting (ZFS) > 4500 cm –1 . However, experimental evidence for these predictions remained elusive due to limitations in the available magnetic characterization techniques. Herein, we determine an axial ZFS of D = 5422 cm –1 for 2, by direct detection of triplet electron paramagnetic resonance using magneto-optical infrared spectroscopy. To date, this represents the largest ZFS experimentally measured.