Please use this identifier to cite or link to this item:
https://hdl.handle.net/10316/90796
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Rodrigues, Ana I. | - |
dc.contributor.author | Krishnamoorthy, Paramasivam | - |
dc.contributor.author | Gomes, Clara S. B. | - |
dc.contributor.author | Carmona, Nicolas | - |
dc.contributor.author | Di Paolo, Roberto E. | - |
dc.contributor.author | Pander, Piotr | - |
dc.contributor.author | Pina, João | - |
dc.contributor.author | Melo, J. Sérgio Seixas de | - |
dc.contributor.author | Dias, Fernando B. | - |
dc.contributor.author | Calhorda, Maria José | - |
dc.contributor.author | Maçanita, António L. | - |
dc.contributor.author | Morgado, Jorge | - |
dc.contributor.author | Gomes, Pedro T. | - |
dc.date.accessioned | 2020-09-07T15:02:12Z | - |
dc.date.available | 2020-09-07T15:02:12Z | - |
dc.date.issued | 2020 | - |
dc.identifier.issn | 1477-9226 | pt |
dc.identifier.issn | 1477-9234 | pt |
dc.identifier.uri | https://hdl.handle.net/10316/90796 | - |
dc.description.abstract | A group of new boron complexes [BPh2{κ2N,N′-NC4H3-2-C(H)[double bond, length as m-dash]N-C6H4X}] (X = 4-Cl 4c, 4-Br 4d, 4-I 4e, 3-Br 4f, 2-Br 4g, 2-I 4h) containing different halogens as substituents in the N-aryl ring have been synthesized and characterized in terms of their molecular properties. Their photophysical characteristics have been thoroughly studied in order to understand whether these complexes exhibit an internal heavy-atom effect. Phosphorescence emission was found for some of the synthesized halogen-substituted boron molecules, particularly for 4g and 4h. DFT and TDDFT calculations showed that the lower energy absorption band resulted from the HOMO to LUMO (π–π*) transition, except for 2-I 4h, where the HOMO−1 to LUMO transition was also involved. The strong participation of iodine orbitals in HOMO−1 is reflected in the calculated absorption spectra of the iodine derivatives, especially 2-I 4h, when spin–orbit coupling (SOC) was included. Organic light-emitting diodes (OLEDs) based on these complexes, in the neat form or dispersed in a matrix, were also fabricated and tested. The devices based on films prepared by thermal vacuum deposition showed the best performance. When neat complexes were used, a maximum luminance (Lmax) of 1812 cd m−2 was obtained, with a maximum external quantum efficiency (EQEmax) of 0.15%. An EQEmax of ca. 1% along with a maximum luminance of 494 cd m−2 were obtained for a device fabricated by co-deposition of the boron complex and a host compound (1,3-bis(N-carbazolyl)benzene, mCP). | pt |
dc.language.iso | eng | pt |
dc.publisher | Royal Society of Chemistry | pt |
dc.relation | PTDC/QUI-QIN/31585/2017 | pt |
dc.relation | PD/BD/ 113535/2015 | pt |
dc.relation | SFRH/BPD/89167/2012 | pt |
dc.relation | SFRH/BPD/107834/2015 | pt |
dc.relation | SFRH/BSAB/135473/2017 | pt |
dc.relation | UIDB/00100/2020 | pt |
dc.relation | UIDB/04046/2020 | pt |
dc.relation | UIDB/00313/2020 | pt |
dc.relation | UIDP/00313/2020 | pt |
dc.relation | UIDB/50008/2020 | pt |
dc.relation | UIDB/ 04378/2020 | pt |
dc.rights | embargoedAccess | pt |
dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | pt |
dc.title | Luminescent halogen-substituted 2-(N-arylimino)pyrrolyl boron complexes: the internal heavy-atom effect | pt |
dc.type | article | - |
degois.publication.firstPage | 10185 | pt |
degois.publication.lastPage | 10202 | pt |
degois.publication.issue | 29 | pt |
degois.publication.title | Dalton Transactions | pt |
dc.relation.publisherversion | https://pubs.rsc.org/en/content/articlelanding/2020/DT/D0DT01845G#!divAbstract | pt |
dc.peerreviewed | yes | pt |
dc.identifier.doi | 10.1039/D0DT01845G | pt |
degois.publication.volume | 49 | pt |
dc.date.embargo | 2020-12-31 | * |
uc.date.periodoEmbargo | 365 | pt |
item.openairecristype | http://purl.org/coar/resource_type/c_18cf | - |
item.openairetype | article | - |
item.cerifentitytype | Publications | - |
item.grantfulltext | open | - |
item.fulltext | Com Texto completo | - |
item.languageiso639-1 | en | - |
crisitem.author.researchunit | CQC - Coimbra Chemistry Centre | - |
crisitem.author.researchunit | CQC - Coimbra Chemistry Centre | - |
crisitem.author.parentresearchunit | Faculty of Sciences and Technology | - |
crisitem.author.parentresearchunit | Faculty of Sciences and Technology | - |
crisitem.author.orcid | 0000-0003-3672-0045 | - |
crisitem.author.orcid | 0000-0003-1848-1167 | - |
crisitem.author.orcid | 0000-0001-9708-5079 | - |
crisitem.author.orcid | 0000-0003-0976-6654 | - |
Appears in Collections: | I&D CQC - Artigos em Revistas Internacionais |
Files in This Item:
File | Description | Size | Format | |
---|---|---|---|---|
DT2020.pdf | 4.75 MB | Adobe PDF | View/Open |
WEB OF SCIENCETM
Citations
20
9
checked on May 2, 2023
Page view(s)
141
checked on Apr 17, 2024
Download(s)
223
checked on Apr 17, 2024
Google ScholarTM
Check
Altmetric
Altmetric
This item is licensed under a Creative Commons License