ioChem-BD Browse module - Item page
Item metadata and files
Code snippets
Referenced by:
Manuscript title: Synergistic Mechanism between Ir-Phosphinito Catalyst and HFIP Enables Asymmetric Hydrogenation of Ketones Under Acidic Conditions
Journal: Adv. Synth. Catal.
DOI: 10.1002/adsc.70666
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Sciortino, Giuseppe | |
| dc.date.accessioned | 2026-07-16T15:55:59Z | - |
| dc.date.available | 2026-07-16T17:55:19.154536+02:00 | |
| dc.date.available | 2026-07-16T15:55:59Z | - |
| dc.date.created | 2026-07-16T17:55:19.154536+02:00 | |
| dc.date.issued | 2026-07-16T17:55:19.154536+02:00 | |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/120460 | - |
| dc.description.abstract | 25_TSII_hfip_IN_R | |
| dc.description.sponsorship | Institute of Chemical Research of Catalonia | |
| dc.description.sponsorship | Universitat Autònoma de Barcelona | |
| dc.publisher | Institute of Chemical Research of Catalonia | |
| dc.relation | Original title: Synergistic Mechanism between Ir-Phosphinito Catalyst and HFIP Enables Asymmetric Hydrogenation of Ketones Under Acidic Conditions DOI: 10.1002/adsc.70666 Journal: Adv. Synth. Catal. | |
| dc.relation.ispartof | Adv. Synth. Catal. | |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-433 | - |
| dc.relation.uri | http://dx.doi.org/10.1002/adsc.70666 | |
| 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 | 25_TSII_hfip_IN_R | |
| dc.type | dataset | |
| cml.program.name | Gaussian | |
| cml.program.version | 16 | |
| cml.program.other | ES64L-G16RevB.01 | |
| cml.method | B3LYP | |
| cml.basisset | 6-31G(D,P) SDD GEN | |
| cml.multiplicity | 1 | |
| cml.shelltype | Closed | |
| cml.charge | 0 | |
| cml.energy.value | -2600.73230792 | |
| cml.energy.units | Eh | |
| cml.formula.generic | C31H31F6IrNO4P | |
| cml.calculationtype | Geometry optimization TS | |
| cml.hassolvent | true | |
| cml.hasvibrationalfrequencies | true | |
| cml.numberofjobs | 2 | |
| cml.hasmolecularorbitals | false | |
| Appears in Collections: | Ir-Phosphinito - DOI: 10.19061/iochem-bd-1-433 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/120460
Item files in Browse 
HTML5 resume (see conditions inside)