AI Article Synopsis
- Recent studies on stable monocoordinated organobismuthinidenes have revealed unique chemical and electronic structures.
- Quantum chemical calculations indicated that Bu-MFluind-Bi(I) has a triplet ground state with a significant zero-field splitting (ZFS) greater than 4500 cm, which had not been verified experimentally before.
- This research successfully measured a ZFS of 5422 cm using magneto-optical infrared spectroscopy, marking the highest ZFS recorded to date.
Article Abstract
Stable monocoordinated organobismuthinidenes were only recently isolated and analyzed toward their chemical and electronic structure. Quantum chemical calculations on Bu-MFluind-Bi(I) () predicted an unusual electronic structure dominated by a triplet ground state and a spectacular zero-field splitting (ZFS) > 4500 cm. However, experimental evidence for these predictions remained elusive due to limitations in the available magnetic characterization techniques. Herein, we determine an axial ZFS of = 5422 cm for , by direct detection of triplet electron paramagnetic resonance using magneto-optical infrared spectroscopy. To date, this represents the largest ZFS experimentally measured.
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| http://dx.doi.org/10.1021/jacs.4c14795 | DOI Listing |
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