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dc.contributor.authorOrtuño Guzmán, Ana María 
dc.contributor.authorReiné Díaz, Pablo 
dc.contributor.authorResa Acosta, Sandra
dc.contributor.authorÁlvarez Cienfuegos Rodríguez, Luis 
dc.contributor.authorBlanco Suárez, Víctor 
dc.contributor.authorCuerva Carvajal, Juan Manuel
dc.identifier.citationOrg. Chem. Front., 2021, 8, 5071. DOI: [10.1039/d1qo00822f]es_ES
dc.descriptionWe thank the Ministerio de Economia y Competitividad (CTQ2017-85454-C2-1-P), Ministerio de Ciencia en Innovacion (PID2020-113059GB-C21) and Junta de Andalucia (P20_00162) (Spain) for funding and P. R. and A. O. G. also for FPU contracts. We also thank the UGR CSIRC for access to computational facilities. We also thank Big&Open Data Innovation Laboratory (BODaI-Lab), University of Brescia, granted by Fondazione Cariplo and Regione Lombardia, for access to resources of Computing Center CINECA (Bologna), Italy. Support from the Italian MIUR (grant N. 2017A4XRCA) is also acknowledged. VM acknowledges a Fellowship from Ikerbasque, the Basque Foundation for Science.es_ES
dc.description.abstractA novel synthetic strategy based on a bifunctional stapled chiral nucleus from which segments of different lengths can be added to both ends of o-phenylene ethynylenes (o-OPEs) has been developed to obtain a new type of foldamer and a novel chiral Pd2L2 metallacycle. For the first time, an enantiopure fully conjugated helical foldamer having 14 phenyl rings and 13 alkynes is reported. The folded structure has four complete loops and is able to host three Ag(I) cations in their cavity with high binding constants. The complete photophysical and chiroptical (ECD, CPL and VCD) characterization of these foldamers has shown that these molecules show intense chiroptical responses with dissymmetry ratios in the range of 10−2. Theoretical modeling of these systems reveals the origin of these remarkable responses and points out a potential connection with the chiral induced spin selectivity (CISS) effect. The magnetic dipole moment is proposed as a key physical variable connecting the chiroptical properties and CISS-based spin filtering properties observed in chiral compounds.es_ES
dc.description.sponsorshipMinisterio de Economia y Competitividad (Spain) CTQ2017-85454-C2-1-Pes_ES
dc.description.sponsorshipMinisterio de Ciencia en Innovacion (Spain) PID2020-113059GB-C21es_ES
dc.description.sponsorshipJunta de Andalucia European Commission P20_00162es_ES
dc.description.sponsorshipMinistry of Education, Universities and Research (MIUR) 2017A4XRCAes_ES
dc.description.sponsorshipIkerbasque, the Basque Foundation for Sciencees_ES
dc.publisherRoyal Society of Chemistryes_ES
dc.rightsAtribución-NoComercial 3.0 España*
dc.titleExtended enantiopure ortho-phenylene ethylene (o-OPE)-based helical systems as scaffolds for supramolecular architectures: a study of chiroptical response and its connection to the CISS effectes_ES

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Atribución-NoComercial 3.0 España
Except where otherwise noted, this item's license is described as Atribución-NoComercial 3.0 España