| dc.contributor.author | ROZAS, ISABEL | |
| dc.contributor.author | CONNON, STEPHEN | |
| dc.contributor.author | Trujillo, Cristina | |
| dc.contributor.author | Botte, Astrid | |
| dc.date.accessioned | 2020-05-19T08:53:48Z | |
| dc.date.available | 2020-05-19T08:53:48Z | |
| dc.date.issued | 2017 | |
| dc.date.submitted | 2017 | en |
| dc.identifier.citation | Trujillo, C., Rozas, I., Botte, A. & Connon, S.J., A DFT mechanistic study of the organocatalytic asymmetric reaction of aldehydes and homophthalic anhydride, Chemical Communications, 53, 63, 2017, 8874-8877 | en |
| dc.identifier.other | Y | |
| dc.identifier.uri | https://pubs.rsc.org/en/content/articlelanding/2017/CC/C7CC04596D#!divAbstract | |
| dc.identifier.uri | http://hdl.handle.net/2262/92574 | |
| dc.description.abstract | The first DFT study of the cycloaddition of benzaldehyde with homophthalic anhydride under the influence of a bifunctional organocatalyst is reported. The catalyst first binds and then deprotonates the anhydride, leading to a squaramide-bound enolate, which then adds to the aldehyde with activation of the electrophile by the catalyst's ammonium ion. | en |
| dc.format.extent | 8874-8877 | en |
| dc.language.iso | en | en |
| dc.relation.ispartofseries | Chemical Communications; | |
| dc.relation.ispartofseries | 53; | |
| dc.relation.ispartofseries | 63; | |
| dc.rights | Y | en |
| dc.subject | DFT | en |
| dc.subject | Benzaldehyde | en |
| dc.subject | Homophthalic anhydride | en |
| dc.title | A DFT mechanistic study of the organocatalytic asymmetric reaction of aldehydes and homophthalic anhydride | en |
| dc.type | Journal Article | en |
| dc.type.supercollection | scholarly_publications | en |
| dc.type.supercollection | refereed_publications | en |
| dc.identifier.peoplefinderurl | http://people.tcd.ie/rozasi | |
| dc.identifier.peoplefinderurl | http://people.tcd.ie/connons | |
| dc.identifier.rssinternalid | 182164 | |
| dc.identifier.doi | http://dx.doi.org/10.1039/c7cc04596d | |
| dc.rights.ecaccessrights | openAccess | |
| dc.identifier.orcid_id | 0000-0002-6658-6038 | |
| dc.contributor.sponsor | Science Foundation Ireland (SFI) | en |
| dc.contributor.sponsorGrantNumber | 12/IA/1645 | en |
