TY  - JOUR
A1  - Mukhopadhyay, Deb Pratim
A1  - Schleier, Domenik
A1  - Wirsing, Sara
A1  - Ramler, Jaqueline
A1  - Kaiser, Dustin
A1  - Reusch, Engelbert
A1  - Hemberger, Patrick
A1  - Preitschopf, Tobias
A1  - Krummenacher, Ivo
A1  - Engels, Bernd
A1  - Fischer, Ingo
A1  - Lichtenberg, Crispin
T1  - Methylbismuth: an organometallic bismuthinidene biradical
T2  - Chemical Science
N2  - We report the generation, spectroscopic characterization, and computational analysis of the first free (non-stabilized) organometallic bismuthinidene, BiMe. The title compound was generated in situ from BiMe\(_3\) by controlled homolytic Bi–C bond cleavage in the gas phase. Its electronic structure was characterized by a combination of photoion mass-selected threshold photoelectron spectroscopy and DFT as well as multi-reference computations. A triplet ground state was identified and an ionization energy (IE) of 7.88 eV was experimentally determined. Methyl abstraction from BiMe\(_3\) to give [BiMe(_2\)]• is a key step in the generation of BiMe. We reaveal a bond dissociation energy of 210 ± 7 kJ mol\(^{−1}\), which is substantially higher than the previously accepted value. Nevertheless, the homolytic cleavage of Me–BiMe\(_2\) bonds could be achieved at moderate temperatures (60–120 °C) in the condensed phase, suggesting that [BiMe\(_2\)]• and BiMe are accessible as reactive intermediates under these conditions.
KW  - methylbismuth
KW  - Photoelektronenspektroskopie
Y1  - 2020
UR  - https://opus.bibliothek.uni-wuerzburg.de/frontdoor/index/index/docId/25165
UR  - https://nbn-resolving.org/urn:nbn:de:bvb:20-opus-251657
UR  - https://pubs.rsc.org/en/content/articlelanding/2020/SC/D0SC02410D
VL  - 11
IS  - 29
ER  -