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

Magnus R. Buchner; Lukas K. Kreuzer; Lewis R. Thomas-Hargreaves; Matthias Müller; Sergei I. Ivlev; Gernot Frenking; Sudip Pan

doi:10.1002/chem.202400966

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

Magnus R. Buchner, Lukas K. Kreuzer, Lewis R. Thomas-Hargreaves, Matthias Müller, Sergei I. Ivlev, Gernot Frenking, Sudip Pan

Research output: Contribution to journal › Article › peer-review

2 Scopus citations

Abstract

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.

Original language	English
Article number	e202400966
Journal	Chemistry - A European Journal
Volume	30
Issue number	30
DOIs	https://doi.org/10.1002/chem.202400966
State	Published - 28 May 2024
Externally published	Yes

Keywords

Beryllium
Carbodiphosphoranes
Dative Bonding
Metallacycles
Quantum Chemistry

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10.1002/chem.202400966

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title = "Mono-Ortho-Beryllated Carbodiphosphoranes: Synthesis, Structure, Bonding and Reactivity",

abstract = "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.",

keywords = "Beryllium, Carbodiphosphoranes, Dative Bonding, Metallacycles, Quantum Chemistry",

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doi = "10.1002/chem.202400966",

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T1 - Mono-Ortho-Beryllated Carbodiphosphoranes

T2 - Synthesis, Structure, Bonding and Reactivity

AU - Buchner, Magnus R.

AU - Kreuzer, Lukas K.

AU - Thomas-Hargreaves, Lewis R.

AU - Müller, Matthias

AU - Ivlev, Sergei I.

AU - Frenking, Gernot

AU - Pan, Sudip

PY - 2024/5/28

Y1 - 2024/5/28

N2 - 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.

AB - 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.

KW - Beryllium

KW - Carbodiphosphoranes

KW - Dative Bonding

KW - Metallacycles

KW - Quantum Chemistry

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SN - 0947-6539

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

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Keywords

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