Journal Article

PUBDB-2023-06036

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Synthesis and isolation of a triplet bismuthinidene with a quenched magnetic response

Pang, Y. ; Nöthling, N.Extern* ; Leutzsch, M. ; Kang, L.Extern* ; Bill, E. ; van Gastel, M. ; Reijerse, E. ; Goddard, R.Extern* ; Wagner, L. ; SantaLucia, D. ; DeBeer, S.Extern* ; Neese, F. (Corresponding author) ; Cornella, J. (Corresponding author)

2023
Assoc. Washington, DC

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Please use a persistent id in citations: doi:10.1126/science.adg2833

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$_S$ = 0 magnetic sublevel thermally isolated in the electronic ground state.

Note: ISSN 1095-9203 not unique: **3 hits**. Waiting for fulltext

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Contributing Institute(s):

1. DOOR-User (DOOR ; HAS-User)

Research Program(s):

1. 6G3 - PETRA III (DESY) (POF4-6G3) (POF4-6G3)

Experiment(s):

1. PETRA Beamline P65 (PETRA III)

Appears in the scientific report 2023

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