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Manuscript title: Overriding the Expected Reactivity in C–H Bond Functionalization: Chemoselective C(sp2)–H Arylation of Enolizable Aryl Alkyl Ketones and Mechanistic Insight
Journal: ACS Catal.
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Sciortino, Giuseppe | |
| dc.date.accessioned | 2026-07-23T16:59:09Z | - |
| dc.date.available | 2026-07-23T18:58:47.849086+02:00 | |
| dc.date.available | 2026-07-23T16:59:09Z | - |
| dc.date.created | 2026-07-23T18:58:47.849086+02:00 | |
| dc.date.issued | 2026-07-23T18:58:47.849086+02:00 | |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/120655 | - |
| dc.description.abstract | 06-c7A | |
| dc.description.sponsorship | Institute of Chemical Research of Catalonia | |
| dc.publisher | Institute of Chemical Research of Catalonia | |
| dc.relation | Original title: Overriding the Expected Reactivity in C–H Bond Functionalization: Chemoselective C(sp2)–H Arylation of Enolizable Aryl Alkyl Ketones and Mechanistic Insight DOI: 10.1021/acscatal.6c03249 Journal: ACS Catal. | |
| dc.relation.ispartof | ACS Catal. | |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-434 | - |
| dc.relation.uri | http://dx.doi.org/10.1021/acscatal.6c03249 | |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2026 | |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | |
| dc.title | 06-c7A | |
| dc.type | dataset | |
| cml.program.name | Gaussian | |
| cml.program.version | 16 | |
| cml.program.other | ES64L-G16RevA.03 | |
| cml.method | AsymmetricI | |
| cml.basisset | 6-31G* GENECP | |
| cml.multiplicity | 1 | |
| cml.shelltype | Closed | |
| cml.charge | 0 | |
| cml.energy.value | -1668.75097403 | |
| cml.energy.units | Eh | |
| cml.formula.generic | C25H18CsF3N2O2Pd | |
| cml.calculationtype | Geometry optimization Minimum | |
| cml.hassolvent | true | |
| cml.hasvibrationalfrequencies | true | |
| cml.numberofjobs | 2 | |
| cml.hasmolecularorbitals | false | |
| Appears in Collections: | C(sp2)–H Arylation - DOI: 10.19061/iochem-bd-1-434 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/120655
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