DATASET A Gold(I)–Acetylene Complex Synthesised using Single-Crystal Reactivity

As a service to our authors and readers, this journal provides supporting information supplied by the authors. Such materials are peer reviewed and may be re-organized for online delivery, but are not copy-edited or typeset. Technical support issues arising from supporting information (other than mi...

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Autores: Johnson, Chloe L., Storm, Daniel J., Sajjad, Muhammad Arif, Gyton, Matthew R., MacGregor, Stuart A., Weller, Andrew S., Campos, Jesús
Tipo de recurso: conjunto de datos
Estado:Versión publicada
Fecha de publicación:2024
País:España
Institución:Consejo Superior de Investigaciones Científicas (CSIC)
Repositorio:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/395112
Acceso en línea:http://hdl.handle.net/10261/395112
Access Level:acceso abierto
Palabra clave:acetylene
bulky phosphine
gold(I)
ligand cavity
single crystals
solid-state organometallic
X-ray diffraction
gold
ligands
phosphine
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spelling DATASET A Gold(I)–Acetylene Complex Synthesised using Single-Crystal ReactivityJohnson, Chloe L.Storm, Daniel J.Sajjad, Muhammad ArifGyton, Matthew R.MacGregor, Stuart A.Weller, Andrew S.Campos, Jesúsacetylenebulky phosphinegold(I)ligand cavitysingle crystalssolid-state organometallicX-ray diffractionacetylenegoldligandsphosphineAs a service to our authors and readers, this journal provides supporting information supplied by the authors. Such materials are peer reviewed and may be re-organized for online delivery, but are not copy-edited or typeset. Technical support issues arising from supporting information (other than missing files) should be addressed to the authors.Using single-crystal to single-crystal solid/gas reactivity the gold(I) acetylene complex [Au(L1)(eta 2-HC equivalent to 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 equivalent to CH with [Au(L1)]+ comprises both sigma-donation and pi-backdonation with additional dispersion interactions within the cavity-shaped phosphine. The existence of pi-acetylene gold(I) compounds as intermediates in catalysis has been postulated, but their isolation or spectroscopic detection has remained elusive. Herein, the combination of a bulky cavity-shaped phosphine along with single-crystal to single-crystal reactivity allowed for the isolation of the first gold(I)-acetylene complex, which was thoroughly characterized by X-ray diffraction, solution and solid-state NMR, periodic DFT, and electronic structure analyses. imageThis 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). Dr A. Whitwood (York) for helpul discussions and Dr V. Annis (York) for technical assistance with 13C-acetylene experiments.Peer reviewedWiley-BlackwellEuropean Research CouncilMinisterio de Ciencia e Innovación (España)Junta de AndalucíaLeverhulme TrustUniversity of St AndrewsEngineering and Physical Sciences Research Council (UK)UK Catalysis HubJohnson, Chloe L. [0000-0002-0183-2955]Storm, Daniel J.[0009-0009-7189-0008]Sajjad, Muhammad Arif [0000-0002-4119-9912]Gyton, Matthew R. [0000-0002-7565-5154]Duckett, Simon B. [0000-0002-9788-6615]MacGregor, Stuart A. [0000-0003-3454-6776]Weller, Andrew S. [0000-0003-1646-8081]Navarro, Miquel [0000-0002-5481-1234]Campos, Jesús [0000-0002-5155-1262]Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]202520252024info:eu-repo/semantics/datasethttp://purl.org/coar/resource_type/c_ddb1Publisher's versioninfo:eu-repo/semantics/publishedVersionUniprot IDhttp://hdl.handle.net/10261/395112reponame:DIGITAL.CSIC. Repositorio Institucional del CSICinstname:Consejo Superior de Investigaciones Científicas (CSIC)Inglés#PLACEHOLDER_PARENT_METADATA_VALUE##PLACEHOLDER_PARENT_METADATA_VALUE##PLACEHOLDER_PARENT_METADATA_VALUE#info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2021-2023/PID2022-139782NB-I00FJC2018-035514-IDOC_00149https://doi.org/10.1002/anie.202404264Síinfo:eu-repo/semantics/openAccessoai:digital.csic.es:10261/3951122026-05-22T06:33:51Z
dc.title.none.fl_str_mv DATASET A Gold(I)–Acetylene Complex Synthesised using Single-Crystal Reactivity
title DATASET A Gold(I)–Acetylene Complex Synthesised using Single-Crystal Reactivity
spellingShingle DATASET A Gold(I)–Acetylene Complex Synthesised using Single-Crystal Reactivity
Johnson, Chloe L.
acetylene
bulky phosphine
gold(I)
ligand cavity
single crystals
solid-state organometallic
X-ray diffraction
acetylene
gold
ligands
phosphine
title_short DATASET A Gold(I)–Acetylene Complex Synthesised using Single-Crystal Reactivity
title_full DATASET A Gold(I)–Acetylene Complex Synthesised using Single-Crystal Reactivity
title_fullStr DATASET A Gold(I)–Acetylene Complex Synthesised using Single-Crystal Reactivity
title_full_unstemmed DATASET A Gold(I)–Acetylene Complex Synthesised using Single-Crystal Reactivity
title_sort DATASET A Gold(I)–Acetylene Complex Synthesised using Single-Crystal Reactivity
dc.creator.none.fl_str_mv Johnson, Chloe L.
Storm, Daniel J.
Sajjad, Muhammad Arif
Gyton, Matthew R.
MacGregor, Stuart A.
Weller, Andrew S.
Campos, Jesús
author Johnson, Chloe L.
author_facet Johnson, Chloe L.
Storm, Daniel J.
Sajjad, Muhammad Arif
Gyton, Matthew R.
MacGregor, Stuart A.
Weller, Andrew S.
Campos, Jesús
author_role author
author2 Storm, Daniel J.
Sajjad, Muhammad Arif
Gyton, Matthew R.
MacGregor, Stuart A.
Weller, Andrew S.
Campos, Jesús
author2_role author
author
author
author
author
author
dc.contributor.none.fl_str_mv European Research Council
Ministerio de Ciencia e Innovación (España)
Junta de Andalucía
Leverhulme Trust
University of St Andrews
Engineering and Physical Sciences Research Council (UK)
UK Catalysis Hub
Johnson, Chloe L. [0000-0002-0183-2955]
Storm, Daniel J.[0009-0009-7189-0008]
Sajjad, Muhammad Arif [0000-0002-4119-9912]
Gyton, Matthew R. [0000-0002-7565-5154]
Duckett, Simon B. [0000-0002-9788-6615]
MacGregor, Stuart A. [0000-0003-3454-6776]
Weller, Andrew S. [0000-0003-1646-8081]
Navarro, Miquel [0000-0002-5481-1234]
Campos, Jesús [0000-0002-5155-1262]
Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]
dc.subject.none.fl_str_mv acetylene
bulky phosphine
gold(I)
ligand cavity
single crystals
solid-state organometallic
X-ray diffraction
acetylene
gold
ligands
phosphine
topic acetylene
bulky phosphine
gold(I)
ligand cavity
single crystals
solid-state organometallic
X-ray diffraction
acetylene
gold
ligands
phosphine
description As a service to our authors and readers, this journal provides supporting information supplied by the authors. Such materials are peer reviewed and may be re-organized for online delivery, but are not copy-edited or typeset. Technical support issues arising from supporting information (other than missing files) should be addressed to the authors.
publishDate 2024
dc.date.none.fl_str_mv 2024
2025
2025
dc.type.none.fl_str_mv info:eu-repo/semantics/dataset
http://purl.org/coar/resource_type/c_ddb1
Publisher's version
info:eu-repo/semantics/publishedVersion
format dataset
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/10261/395112
url http://hdl.handle.net/10261/395112
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv #PLACEHOLDER_PARENT_METADATA_VALUE#
#PLACEHOLDER_PARENT_METADATA_VALUE#
#PLACEHOLDER_PARENT_METADATA_VALUE#
info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2021-2023/PID2022-139782NB-I00
FJC2018-035514-I
DOC_00149
https://doi.org/10.1002/anie.202404264
Sí
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv Uniprot ID
dc.publisher.none.fl_str_mv Wiley-Blackwell
publisher.none.fl_str_mv Wiley-Blackwell
dc.source.none.fl_str_mv reponame:DIGITAL.CSIC. Repositorio Institucional del CSIC
instname:Consejo Superior de Investigaciones Científicas (CSIC)
instname_str Consejo Superior de Investigaciones Científicas (CSIC)
reponame_str DIGITAL.CSIC. Repositorio Institucional del CSIC
collection DIGITAL.CSIC. Repositorio Institucional del CSIC
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repository.mail.fl_str_mv
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