Mono‐Ortho‐Beryllated Carbodiphosphoranes: Synthesis, Structure, Bonding and Reactivity

The reaction of organoberyllium compounds with hexaphenylcarbodiphosphorane yields mono‐ortho‐beryllated complexes, which feature a double dative Be=C bond. The bonding situation in these compounds together with a simple carbodiphosphorane and an N‐heterocyclic carbene adduct was analysed with energ...

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Bibliographic Details
Published in:Chemistry : a European journal 2024-05, Vol.30 (30), p.e202400966-n/a
Main Authors: Buchner, Magnus R., Kreuzer, Lukas K., Thomas‐Hargreaves, Lewis R., Müller, Matthias, Ivlev, Sergei I., Frenking, Gernot, Pan, Sudip
Format: Article
Language:English
Subjects:
Beryllium
Carbodiphosphoranes
Chemical bonds
Dative Bonding
Metallacycles
Organoberyllium compounds
Quantum Chemistry
Quantum theory
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Summary:The reaction of organoberyllium compounds with hexaphenylcarbodiphosphorane yields mono‐ortho‐beryllated complexes, which feature a double dative Be=C bond. The bonding situation in these compounds together with a simple carbodiphosphorane and an N‐heterocyclic carbene adduct was analysed with energy decomposition analysis in combination with natural orbital for chemical valence as well as with quantum theory of atoms‐in‐molecules. Furthermore, the driving forces accountable for mono‐ortho‐beryllation were elucidated along with the reactivity of the Be=C bond. Synopsis: Mono‐ortho‐beryllated carbodiphosphoranes, which feature a double dative Be=C bond, have been synthesised. The bonding situation in these complexes was elucidated computationally, while their reactivity was investigated experimentally.
ISSN:0947-6539
1521-3765
DOI:10.1002/chem.202400966