Synthesis and isolation of a triplet bismuthinidene with a quenched magnetic response.
basic_science · Level V
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- Record sourced from PubMed, PMID 37200451.
- Also identified by DOI 10.1126/science.adg2833.
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Abstract
Large spin-orbit coupling (SOC) is an intrinsic property of the heavy elements that directly affects the electronic structures of the compounds. In this work, we report the synthesis and characterization of a monocoordinate bismuthinidene that features a rigid and bulky ligand. All magnetic measurements [superconducting quantum interference device (SQUID), nuclear magnetic resonance (NMR)] point to a diamagnetic compound. However, multiconfigurational quantum chemical calculations predict the ground state of the compound to be dominated (76%) by a spin triplet. The apparent diamagnetism is explained by an extremely large SOC-induced positive zero-field splitting of more than 4500 wavenumbers that leaves the M<i><sub>S</sub></i> = 0 magnetic sublevel thermally isolated in the electronic ground state.