A gold(I)-acetylene complex synthesised using single-crystal reactivity

Chloe L. Johnson; Daniel J. Storm; M. Arif Sajjad; Matthew R. Gyton; Simon B. Duckett; Stuart A. Macgregor; Andrew S. Weller; Miquel Navarro; Jesus Campos

doi:10.1002/anie.202404264

A gold(I)-acetylene complex synthesised using single-crystal reactivity

Chloe L. Johnson, Daniel J. Storm, M. Arif Sajjad, Matthew R. Gyton, Simon B. Duckett^*, Stuart A. Macgregor^*, Andrew S. Weller^*, Miquel Navarro^*, Jesus Campos^*

^*Corresponding author for this work

School of Chemistry

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

Abstract

Using single-crystal to single-crystal solid/gas reactivity the gold(I) acetylene complex [Au(L1)(η²-HC≡CH)][BAr^F₄] is cleanly synthesized by addition of acetylene gas to single crystals of [Au(L1)(CO)][BAr^F₄] [L1=tris-2-(4,4′-di-tert-butylbiphenyl)phosphine, Ar^F=3,5-(CF₃)₂C₆H₃]. This simplest gold-alkyne complex has been characterized by single crystal X-ray diffraction, solution and solid-state NMR spectroscopy and periodic DFT. Bonding of HC≡CH with [Au(L1)]⁺ comprises both σ-donation and π-backdonation with additional dispersion interactions within the cavity-shaped phosphine.

Original language	English
Article number	e202404264
Number of pages	6
Journal	Angewandte Chemie International Edition
Volume	63
Issue number	30
Early online date	20 Jun 2024
DOIs	https://doi.org/10.1002/anie.202404264
Publication status	Published - 22 Jul 2024

Keywords

X-ray diffraction
Acetylene
Bulky phosphine
Gold(I)
Ligand cavity
Single crystals
Solid-state organometallic

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Johnson_2024_ACIE_Gold(I)-acetylene-complex-single-crystal-reactivity_CC
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A gold(I)-acetylene complex synthesised using single-crystal reactivity (dataset)
Johnson, C. L. (Creator), Storm, D. (Creator), Sajjad, M. (Creator), Gyton, M. R. (Creator), Duckett, S. B. (Creator), Macgregor, S. (Creator), Weller, A. S. (Creator), Navarro, M. (Creator) & Campos, J. (Creator), University of St Andrews, 7 Aug 2025
DOI: 10.17630/dc8e5078-a3f8-4b53-998f-475feaa6ec8c
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title = "A gold(I)-acetylene complex synthesised using single-crystal reactivity",

abstract = "Using single-crystal to single-crystal solid/gas reactivity the gold(I) acetylene complex [Au(L1)(η2-HC≡CH)][BArF4] is cleanly synthesized by addition of acetylene gas to single crystals of [Au(L1)(CO)][BArF4] [L1=tris-2-(4,4′-di-tert-butylbiphenyl)phosphine, ArF=3,5-(CF3)2C6H3]. This simplest gold-alkyne complex has been characterized by single crystal X-ray diffraction, solution and solid-state NMR spectroscopy and periodic DFT. Bonding of HC≡CH with [Au(L1)]+ comprises both σ-donation and π-backdonation with additional dispersion interactions within the cavity-shaped phosphine.",

keywords = "X-ray diffraction, Acetylene, Bulky phosphine, Gold(I), Ligand cavity, Single crystals, Solid-state organometallic",

author = "Johnson, {Chloe L.} and Storm, {Daniel J.} and Sajjad, {M. Arif} and Gyton, {Matthew R.} and Duckett, {Simon B.} and Macgregor, {Stuart A.} and Weller, {Andrew S.} and Miquel Navarro and Jesus Campos",

note = "Funding: This work was supported by the European Research Council (ERC Starting Grant, CoopCat, Project 756575) and the Spanish Ministry of Science and Innovation (PID2022-139782NB-I00). M. N. acknowledges the Spanish Ministry of Science and Innovation and Junta de Andaluc{\'i}a for postdoctoral programs (FJC2018-035514-I and DOC_00149). Leverhulme Trust (RPG-2020-184; MRG, CLJ) and the Wild Overseas Scholar's Fund (CLJ); the University of St. Andrews (DJS) and EPSRC (EP/W015498/1, MAS; UK Catalysis Hub, EP/R026815/1, MRG).",

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doi = "10.1002/anie.202404264",

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T1 - A gold(I)-acetylene complex synthesised using single-crystal reactivity

AU - Johnson, Chloe L.

AU - Storm, Daniel J.

AU - Sajjad, M. Arif

AU - Gyton, Matthew R.

AU - Duckett, Simon B.

AU - Macgregor, Stuart A.

AU - Weller, Andrew S.

AU - Navarro, Miquel

AU - Campos, Jesus

N1 - Funding: This work was supported by the European Research Council (ERC Starting Grant, CoopCat, Project 756575) and the Spanish Ministry of Science and Innovation (PID2022-139782NB-I00). M. N. acknowledges the Spanish Ministry of Science and Innovation and Junta de Andalucía for postdoctoral programs (FJC2018-035514-I and DOC_00149). Leverhulme Trust (RPG-2020-184; MRG, CLJ) and the Wild Overseas Scholar's Fund (CLJ); the University of St. Andrews (DJS) and EPSRC (EP/W015498/1, MAS; UK Catalysis Hub, EP/R026815/1, MRG).

PY - 2024/7/22

Y1 - 2024/7/22

N2 - Using single-crystal to single-crystal solid/gas reactivity the gold(I) acetylene complex [Au(L1)(η2-HC≡CH)][BArF4] is cleanly synthesized by addition of acetylene gas to single crystals of [Au(L1)(CO)][BArF4] [L1=tris-2-(4,4′-di-tert-butylbiphenyl)phosphine, ArF=3,5-(CF3)2C6H3]. This simplest gold-alkyne complex has been characterized by single crystal X-ray diffraction, solution and solid-state NMR spectroscopy and periodic DFT. Bonding of HC≡CH with [Au(L1)]+ comprises both σ-donation and π-backdonation with additional dispersion interactions within the cavity-shaped phosphine.

AB - Using single-crystal to single-crystal solid/gas reactivity the gold(I) acetylene complex [Au(L1)(η2-HC≡CH)][BArF4] is cleanly synthesized by addition of acetylene gas to single crystals of [Au(L1)(CO)][BArF4] [L1=tris-2-(4,4′-di-tert-butylbiphenyl)phosphine, ArF=3,5-(CF3)2C6H3]. This simplest gold-alkyne complex has been characterized by single crystal X-ray diffraction, solution and solid-state NMR spectroscopy and periodic DFT. Bonding of HC≡CH with [Au(L1)]+ comprises both σ-donation and π-backdonation with additional dispersion interactions within the cavity-shaped phosphine.

KW - X-ray diffraction

KW - Acetylene

KW - Bulky phosphine

KW - Gold(I)

KW - Ligand cavity

KW - Single crystals

KW - Solid-state organometallic

U2 - 10.1002/anie.202404264

DO - 10.1002/anie.202404264

M3 - Article

C2 - 38699962

SN - 1433-7851

VL - 63

JO - Angewandte Chemie International Edition

JF - Angewandte Chemie International Edition

IS - 30

M1 - e202404264

ER -

A gold(I)-acetylene complex synthesised using single-crystal reactivity

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A gold(I)-acetylene complex synthesised using single-crystal reactivity (dataset)

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