Mostrar o rexistro simple do ítem
CB[7]- and CB[8]-Based [2]-(Pseudo)rotaxanes with Triphenylphosphonium-Capped Threads: Serendipitous Discovery of a New High-Affinity Binding Motif
dc.contributor.author | Neira, Iago | |
dc.contributor.author | Peinador, Carlos | |
dc.contributor.author | García, Marcos D. | |
dc.date.accessioned | 2022-09-29T11:11:08Z | |
dc.date.available | 2022-09-29T11:11:08Z | |
dc.date.issued | 2022-05-06 | |
dc.identifier.citation | Neira, I.; Peinador, C.; García, M. D. CB[7]- and CB[8]-Based [2]-(Pseudo)Rotaxanes with Triphenylphosphonium-Capped Threads: Serendipitous Discovery of a New High-Affinity Binding Motif. Org. Lett. 2022, 24 (25), 4491–4495. https://doi.org/10.1021/acs.orglett.2c01028 | es_ES |
dc.identifier.issn | 1523-7060 | |
dc.identifier.issn | 1523-7052 | |
dc.identifier.uri | http://hdl.handle.net/2183/31745 | |
dc.description | Financiado para publicación en acceso aberto: Universidade da Coruña/CISUG | es_ES |
dc.description.abstract | [Abstract] The synthesis of new triphenylphosphonium-capped cucurbit[7]uril (CB[7])- and cucurbit[8]uril (CB[8])-based [2]rotaxanes was achieved by a simultaneous threading-capping strategy. While the use of CB[7] produced the designed [2]rotaxane, attempts to obtain the CB[8] analogue were unsuccessful due to the unexpected strong interaction found between the host and the phosphonium caps leading to pseudo-heteroternary host–guest complexes. This unusual binding motif has been extensively studied experimentally, with results in good agreement with those obtained by dispersion-corrected DFT methods. | es_ES |
dc.description.sponsorship | This research was supported by the Agencia Estatal de Investigación (PID2019-105272GB-I00) and Xunta de Galicia (ED431C 2018/39). I.N. thanks the MECD (FPU program). The authors are indebted to Centro de Supercomputación de Galicia (CESGA) for providing the computer facilities | es_ES |
dc.description.sponsorship | Xunta de Galicia; ED431C 2018/39 | es_ES |
dc.language.iso | eng | es_ES |
dc.publisher | American Chemical Society | es_ES |
dc.relation | info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PID2019-105272GB-I00/ES/DESARROLLO DE NUEVOS CICLOFANOS AUTOENSAMBLADOS Y SU IMPLEMENTACION EN ESTRUCTURAS NANOMETRICAS/ | |
dc.relation.uri | https://doi.org/10.1021/acs.orglett.2c01028 | es_ES |
dc.rights | Atribución 4.0 Internacional | es_ES |
dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | * |
dc.title | CB[7]- and CB[8]-Based [2]-(Pseudo)rotaxanes with Triphenylphosphonium-Capped Threads: Serendipitous Discovery of a New High-Affinity Binding Motif | es_ES |
dc.type | info:eu-repo/semantics/article | es_ES |
dc.rights.access | info:eu-repo/semantics/openAccess | es_ES |
UDC.journalTitle | Organic Letters | es_ES |
UDC.volume | 24 | es_ES |
UDC.issue | 25 | es_ES |
UDC.startPage | 4491 | es_ES |
UDC.endPage | 4495 | es_ES |
dc.identifier.doi | 10.1021/acs.orglett.2c01028 |
Ficheiros no ítem
Este ítem aparece na(s) seguinte(s) colección(s)
-
GI- Quimolmat - Artigos [104]