Isomerization of Internal Alkynes to Iridium(III) Allene Complexes via C–H Bond Activation: Expanded Substrate Scope, and Progress towards a Catalytic Methodology

dc.creatorPhadke, Neha (TTU)
dc.creatorFindlater, Michael (TTU)
dc.date.accessioned2023-01-31T17:40:20Z
dc.date.available2023-01-31T17:40:20Z
dc.date.issued2015
dc.description© 2015 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons by Attribution (CC-BY) license ( http://creativecommons.org/licenses/by/4.0/).en_US
dc.description.abstractThe synthesis of a series of allene complexes (POCOP)Ir(η2-RC==CR’) 1b–4b (POCOP = 2,6-bis(di-tert-butylphosphonito)benzene) via isomerization of internal alkynes is reported. We have demonstrated that the application of this methodology is viable for the isomerization of a wide variety of alkyne substrates. Deuterium labeling experiments support our proposed mechanism. The structures of the allene complexes 1b–4b were determined using spectroscopic data analysis. Additionally, the solid-state molecular structure of complex 2b was determined using single crystal X-ray diffraction studies and it confirmed the assignment of an iridium-bound allene isomerization product. The rates of isomerization were measured using NMR techniques over a range of temperatures to allow determination of thermodynamic parameters. Finally, we report a preliminary step towards developing a catalytic methodology; the allene may be liberated from the metal center by exposure of the complex to an atmosphere of carbon monoxide.en_US
dc.identifier.citationPhadke N, Findlater M. Isomerization of Internal Alkynes to Iridium(III) Allene Complexes via C–H Bond Activation: Expanded Substrate Scope, and Progress towards a Catalytic Methodology. Molecules. 2015; 20(11):20195-20205. https://doi.org/10.3390/molecules201119686en_US
dc.identifier.urihttps://doi.org/10.3390/molecules201119686
dc.identifier.urihttps://hdl.handle.net/2346/90499
dc.language.isoengen_US
dc.subjectIridiumen_US
dc.subjectAllenesen_US
dc.subjectPinceren_US
dc.subjectIsomerizationen_US
dc.subjectSynthesisen_US
dc.subjectIsolationen_US
dc.subjectCrystal Structureen_US
dc.titleIsomerization of Internal Alkynes to Iridium(III) Allene Complexes via C–H Bond Activation: Expanded Substrate Scope, and Progress towards a Catalytic Methodologyen_US
dc.typeArticleen_US

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