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Introducing Ion Mobility Mass Spectrometry to Identify Site-Selective C–H Bond Activation in N-Heterocyclic Carbene Metal Complexes
dc.contributor.author | Mollar Cuni, Andrés | |
dc.contributor.author | Ibañez-Ibañez, Laura | |
dc.contributor.author | Guisado-Barrios, Gregorio | |
dc.contributor.author | Mata Martínez, Jose A | |
dc.contributor.author | Vicent Barrera, Cristian | |
dc.date.accessioned | 2023-02-14T09:02:47Z | |
dc.date.available | 2023-02-14T09:02:47Z | |
dc.date.issued | 2022-11-14 | |
dc.identifier.citation | Mollar-Cuni, A., Ibáñez-Ibáñez, L., Guisado-Barrios, G., Mata, J. A., & Vicent, C. (2022). Introducing Ion Mobility Mass Spectrometry to Identify Site-Selective C–H Bond Activation in N-Heterocyclic Carbene Metal Complexes. Journal of the American Society for Mass Spectrometry, 33(12), 2291-2300. | ca_CA |
dc.identifier.issn | 1044-0305 | |
dc.identifier.issn | 1879-1123 | |
dc.identifier.uri | http://hdl.handle.net/10234/201650 | |
dc.description.abstract | The activation of C−H bonds in a selective manner still constitutes a major challenge from a synthetic point of view; thus, it remains an active area of fundamental and applied research. Herein, we introduce ion mobility spectrometry mass spectrometry-based (IM-MS) approaches to uncover site-selective C−H bond activation in a series of metal complexes of general formula [(NHC)LMCl]+ (NHC = N-heterocyclic carbene; L = pentamethylcyclopentadiene (Cp*) or p-cymene; M = Pd, Ru, and Ir). The C−H bond activation at the N-bound groups of the NHC ligand is promoted upon collision induced dissociation (CID). The identification of the resulting [(NHC-H)LM]+ isomers relies on the distinctive topology that such cyclometalated isomers adopt upon site-selective C−H bond activation. Such topological differences can be reliably evidenced as different mobility peaks in their respective CID-IM mass spectra. Alternative isomers are also identified via dehydrogenation at the Cp*/p-cymene (L) ligands to afford [(NHC)(L-H)M]+ . The fragmentation of the ion mobility-resolved peaks is also investigated by CID-IM-CID. It enables the assignment of mobility peaks to the specific isomers formed from C(sp2 )−H or C(sp3 )−H bond activation and distinguishes them from the Cp*/p-cymene (L) dehydrogenation isomers. The conformational change of the NHC ligands upon C−H bond activation, concomitant with cyclometalation, is also discussed on the basis of the estimated collision cross section (CCS). A unique conformation change of the pyrene-tagge | ca_CA |
dc.format.extent | 10 p. | ca_CA |
dc.format.mimetype | application/pdf | ca_CA |
dc.language.iso | eng | ca_CA |
dc.publisher | American Chemical Society | ca_CA |
dc.relation | Una manera de hacer Europa | ca_CA |
dc.relation.isPartOf | J. Am. Soc. Mass Spectrom. 2022, 33, 12, 2291–2300 | ca_CA |
dc.relation.uri | The Supporting Information is available free of charge at https://pubs.acs.org/doi/10.1021/jasms.2c00257 | ca_CA |
dc.rights | Copyright © 2022, American Society for Mass Spectrometry. Published by the American Chemical Society. All rights reserved. | ca_CA |
dc.rights.uri | http://rightsstatements.org/vocab/InC/1.0/ | ca_CA |
dc.subject | bond activation | ca_CA |
dc.subject | collisions | ca_CA |
dc.subject | ions | ca_CA |
dc.subject | ligands | ca_CA |
dc.subject | molecular structure | ca_CA |
dc.title | Introducing Ion Mobility Mass Spectrometry to Identify Site-Selective C–H Bond Activation in N-Heterocyclic Carbene Metal Complexes | ca_CA |
dc.type | info:eu-repo/semantics/article | ca_CA |
dc.identifier.doi | https://doi.org/10.1021/jasms.2c00257 | |
dc.rights.accessRights | info:eu-repo/semantics/openAccess | ca_CA |
dc.type.version | info:eu-repo/semantics/acceptedVersion | ca_CA |
project.funder.name | Ministerio de Ciencia, Innovación y Universidades | ca_CA |
project.funder.name | Generalitat Valenciana | ca_CA |
project.funder.name | Universitat Jaume I | ca_CA |
project.funder.name | MIU | ca_CA |
project.funder.name | Gobierno de Aragón | ca_CA |
project.funder.name | European Union | ca_CA |
project.funder.name | Universidad de Zaragoza | ca_CA |
oaire.awardNumber | PID2021-126071OB-C22 | ca_CA |
oaire.awardNumber | PID2021- 122900NB-I00 | ca_CA |
oaire.awardNumber | MICIN/AEI/10.13039/ 501100011033/FEDER | ca_CA |
oaire.awardNumber | PROMETEU/2020/028 | ca_CA |
oaire.awardNumber | UJI-B2018-23 | ca_CA |
oaire.awardNumber | FPU20/ 04385 | ca_CA |
oaire.awardNumber | RYC2019-026693-I/AEI/ 10.13039/501100011033 | ca_CA |
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