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I20-Scanning-X-ray spectroscopy (XAS/XES)	Synthesis and isolation of a triplet bismuthinidene with a quenched magnetic response Yue Pang , Nils Nöthling , Markus Leutzsch , Liqun Kang , Eckhard Bill , Maurice Van Gastel , Edward Reijerse , Richard Goddard , Lucas Wagner , Daniel Santalucia , Serena Debeer , Frank Neese , Josep Cornella Science DOI: 10.1126/science.adg2833 Diamond Proposal Number(s): [30449] Show Abstract ▼ Abstract: Large Spin-Orbit Coupling (SOC) is an intrinsic property of the heavy-elements that directly affects the electronic structures of the compounds. Herein we report the synthesis and characterization of a mono-coordinate bismuthinidene featuring a rigid and bulky ligand. All magnetic measurements (SQUID, 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 cm−1 that leaves the MS = 0 magnetic sublevel thermally isolated in the electronic ground state.	May 2023

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