All-metal Baird aromaticity

dc.contributor.author
Chen, Dandan
Szczepanik, Dariusz W.
Zhu, Jun
Solà i Puig, Miquel
dc.date.accessioned
2020-11-02T15:37:59Z
dc.date.available
2020-11-02T15:37:59Z
dc.date.issued
2020-09-07
dc.identifier.uri
http://hdl.handle.net/10256/18594
dc.description.abstract
Baird's rule has been applied to a large scope of organic molecular systems for rationalizing the aromaticity reversal in the lowest-lying triplet state. In this study, we demonstrate that Baird's rule can also be extended to all-metal systems with σ- and π-aromaticity
dc.description.sponsorship
This work was supported with funds from the China Scholarship Council (CSC) by a State Scholarship Fund (No. 201906310040, D.C.), the National Science Foundation of China (21573179, J.Z.), the Top-Notch Young Talents Program of China (J.Z.), the Ministerio de Economía y Competitividad (MINECO) of Spain (project CTQ2017-85341-P, M.S.), and the Generalitat de Catalunya (project 2017SGR39, M.S.). D.W.S. acknowledges the financial support by the European Union's Framework Programme for Research and Innovation Horizon 2020 (2014– 2020) under the Marie Skłodowska‐Curie Grant Agreement No. 797335 “MulArEffect”
dc.format.mimetype
application/pdf
dc.language.iso
eng
dc.publisher
Royal Society of Chemistry
dc.relation
info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016/CTQ2017-85341-P/ES/AVANCES EN LA REACTIVIDAD DE FULLERENOS Y NANOTUBOS: ESTUDIOS TEORICO-EXPERIMENTALES DE CICLACIONES CATALIZADAS POR METALES DE TRANSICION/
dc.relation.isformatof
Versió postprint del document publicat a: https://doi.org/10.1039/D0CC05586G
dc.relation.ispartof
Chemical Communications, 2020, vol. 56, núm. 83, p.12522-12525
dc.relation.ispartofseries
Articles publicats (D-Q)
dc.rights
Tots els drets reservats
dc.subject
Aromaticitat (Química)
Aromaticity (Chemistry)
dc.title
All-metal Baird aromaticity
dc.type
info:eu-repo/semantics/article
dc.rights.accessRights
info:eu-repo/semantics/openAccess
dc.date.embargoEndDate
info:eu-repo/date/embargoEnd/2021-09-07
dc.relation.projectID
info:eu-repo/grantAgreement/EC/H2020/797335/EU/Theoretical description of the multifaceted aromaticity and resonance effects in the ground- and excited-state molecular systems/MulArEffect
dc.type.version
info:eu-repo/semantics/acceptedVersion
dc.identifier.doi
https://doi.org/10.1039/D0CC05586G
dc.contributor.funder
Ministerio de Economía y Competitividad (Espanya)
dc.type.peerreviewed
peer-reviewed
dc.relation.FundingProgramme
H2020
Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016
dc.relation.ProjectAcronym
MulArEffect
AVANCES EN LA REACTIVIDAD DE FULLERENOS Y NANOTUBOS: ESTUDIOS TEORICO-EXPERIMENTALES DE CICLACIONES CATALIZADAS POR METALES DE TRANSICION
dc.identifier.eissn
1364-548X
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