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dc.contributor.author | Zuilhof, Han | |
dc.contributor.author | Sue, Andrew C.-H. | |
dc.contributor.author | Escorihuela Fuentes, Jorge | |
dc.date.accessioned | 2021-12-16T15:08:31Z | |
dc.date.available | 2021-12-16T15:08:31Z | |
dc.date.issued | 2021 | |
dc.identifier.citation | Zuilhof, Han Sue, Andrew C.-H. Escorihuela Fuentes, Jorge 2021 On the Stability and Formation of Pillar[n]arenes: a DFT Study Journal of Organic Chemistry 86 21 14956 14963 | |
dc.identifier.uri | https://hdl.handle.net/10550/81069 | |
dc.description.abstract | The increased use of both pillar[5]arenes and pillar[6]arenes, stimulated by increasingly efficient syntheses of both, has brought forward the question as to what drives the intermediates in this Friedel-Crafts ring formation to form a pillar[5]arene, a pillar[6]arene, or any other sized macrocycle. This study sets out to answer this question by studying both the thermodynamics and kinetics involved in the absence and presence of templating solvents using high-end wB97XD/6-311G(2p,2d) DFT calculations. | |
dc.language.iso | eng | |
dc.relation.ispartof | Journal of Organic Chemistry, 2021, vol. 86, num. 21, p. 14956-14963 | |
dc.subject | Química orgànica | |
dc.title | On the Stability and Formation of Pillar[n]arenes: a DFT Study | |
dc.type | journal article | es_ES |
dc.date.updated | 2021-12-16T15:08:31Z | |
dc.identifier.doi | 10.1021/acs.joc.1c01679 | |
dc.identifier.idgrec | 149355 | |
dc.rights.accessRights | open access | es_ES |