C(sp3)−H bond activation by vinylidene gold(I) complexes: a concerted asynchronous or stepwise process?
A detailed analysis of the C(sp3)−H activation process by vinylidene AuI complexes is described based on an intrinsic bond orbital analysis. Based on our analysis this event can be divided into three phases: (i) hydride transfer, (ii) C−C bond formation, and (iii) σ to π rearrangement of the lone pa...
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| Hauptverfasser: | , , |
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| Dokumenttyp: | Article (Journal) |
| Sprache: | Englisch |
| Veröffentlicht: |
2017
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| In: |
Chemistry - a European journal
Year: 2017, Jahrgang: 23, Heft: 63, Pages: 16097-16103 |
| ISSN: | 1521-3765 |
| DOI: | 10.1002/chem.201703815 |
| Online-Zugang: | Verlag, Volltext: http://dx.doi.org/10.1002/chem.201703815 Verlag, Volltext: https://onlinelibrary.wiley.com/doi/abs/10.1002/chem.201703815 
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| Verfasserangaben: | Johannes E.M.N. Klein, Gerald Knizia, Laura Nunes dos Santos Comprido, Johannes Kästner and A. Stephen K. Hashmi |
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| 245 | 1 | 0 | |a C(sp3)−H bond activation by vinylidene gold(I) complexes |b a concerted asynchronous or stepwise process? |c Johannes E.M.N. Klein, Gerald Knizia, Laura Nunes dos Santos Comprido, Johannes Kästner and A. Stephen K. Hashmi |
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| 520 | |a A detailed analysis of the C(sp3)−H activation process by vinylidene AuI complexes is described based on an intrinsic bond orbital analysis. Based on our analysis this event can be divided into three phases: (i) hydride transfer, (ii) C−C bond formation, and (iii) σ to π rearrangement of the lone pair coordinated to Au. Small perturbations of the system lead to either a concerted asynchronous reaction, or a stepwise reaction featuring an intermediate with a C-H-C three-centre two-electron (3c-2e) bond. The role of π-donating substituents is highlighted and provides a way of controlling reactions of this type in future experimental studies. | ||
| 650 | 4 | |a bond orbital analysis | |
| 650 | 4 | |a C−H activation | |
| 650 | 4 | |a computational chemistry | |
| 650 | 4 | |a gold(I) | |
| 650 | 4 | |a reaction mechanisms | |
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