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- Publisher Website: 10.1002/asia.201700686
- Scopus: eid_2-s2.0-85026372134
- PMID: 28586132
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Article: Strongly Luminescent Cyclometalated Gold(III) Complexes Supported by Bidentate Ligands Displaying Intermolecular Interactions and Tunable Emission Energy
Title | Strongly Luminescent Cyclometalated Gold(III) Complexes Supported by Bidentate Ligands Displaying Intermolecular Interactions and Tunable Emission Energy |
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Authors | |
Keywords | gold luminescence noncovalent interactions organic light-emitting diodes photophysics |
Issue Date | 2017 |
Publisher | Wiley - VCH Verlag GmbH & Co. KGaA. The Journal's web site is located at http://www.wiley-vch.de/publish/en/journals/alphabeticIndex/2451 |
Citation | Chemistry - An Asian Journal, 2017, v. 12 n. 16, p. 2104-2120 How to Cite? |
Abstract | A series of charge-neutral AuIII complexes, which comprise a dicarbanionic C-deprotonated biphenyl ligand and bidentate ancillary ligands ([Au(C^C)(L^X)]; L^X=β-diketonate and relatives (O^O), quinolinolate and relatives (N^O), and diphosphino (P^P) ligands), were prepared. All the complexes are emissive in degassed CH2Cl2 solutions and in thin-film samples with Φem up to 18 and 35 %, respectively, except for 5 and 6, which bear (N^O)-type ancillary ligands. Variation of the electronic characteristics of the β-diketonate ancillary ligand was demonstrated to be a viable route for tuning the emission color from blue-green (peak λem at ca. 466 nm for 1 and 2; 501 nm for 4 a and 4 b) to orange (peak λem at 585 nm for 3), in contrast to the common observations that the ancillary ligand has a negligible effect on the excited-state energy of the AuIII complexes reported in the literature. DFT/time-dependent (TD) DFT calculations revealed that the energies of the 3ππ*(C^C) and the 3ILCT(O^O) excited states (ILCT=intraligand charge transfer) switch in order on going from O^O=acetylacetonate (acac) to aryl-substituted β-diketonate ligands. Solution-processed and vacuum-deposited organic light-emitting diode (OLED) devices of selected complexes were prepared. The vacuum-deposited OLED fabricated with 2 displays a sky-blue emission with a maximum external quantum efficiency (EQE) of 6.71 % and CIE coordinates of (0.22, 0.40). The crystal structures of 7 and 9 reveal short intermolecular AuIII⋅⋅⋅AuIII contacts, with intermetal distances of 3.408 and 3.453 Å, respectively. DFT/TDDFT calculations were performed on 7 and 9 to account for the noncovalent interactions. Solid samples of 1, 3, and 9 exhibit excimeric emission at room temperature, which is rarely reported in AuIII complexes. |
Persistent Identifier | http://hdl.handle.net/10722/244816 |
ISSN | 2023 Impact Factor: 3.5 2023 SCImago Journal Rankings: 0.846 |
ISI Accession Number ID |
DC Field | Value | Language |
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dc.contributor.author | Chan, KT | - |
dc.contributor.author | Tong, SM | - |
dc.contributor.author | Wan, Q | - |
dc.contributor.author | Cheng, G | - |
dc.contributor.author | Yang, C | - |
dc.contributor.author | Che, CM | - |
dc.date.accessioned | 2017-09-18T01:59:35Z | - |
dc.date.available | 2017-09-18T01:59:35Z | - |
dc.date.issued | 2017 | - |
dc.identifier.citation | Chemistry - An Asian Journal, 2017, v. 12 n. 16, p. 2104-2120 | - |
dc.identifier.issn | 1861-4728 | - |
dc.identifier.uri | http://hdl.handle.net/10722/244816 | - |
dc.description.abstract | A series of charge-neutral AuIII complexes, which comprise a dicarbanionic C-deprotonated biphenyl ligand and bidentate ancillary ligands ([Au(C^C)(L^X)]; L^X=β-diketonate and relatives (O^O), quinolinolate and relatives (N^O), and diphosphino (P^P) ligands), were prepared. All the complexes are emissive in degassed CH2Cl2 solutions and in thin-film samples with Φem up to 18 and 35 %, respectively, except for 5 and 6, which bear (N^O)-type ancillary ligands. Variation of the electronic characteristics of the β-diketonate ancillary ligand was demonstrated to be a viable route for tuning the emission color from blue-green (peak λem at ca. 466 nm for 1 and 2; 501 nm for 4 a and 4 b) to orange (peak λem at 585 nm for 3), in contrast to the common observations that the ancillary ligand has a negligible effect on the excited-state energy of the AuIII complexes reported in the literature. DFT/time-dependent (TD) DFT calculations revealed that the energies of the 3ππ*(C^C) and the 3ILCT(O^O) excited states (ILCT=intraligand charge transfer) switch in order on going from O^O=acetylacetonate (acac) to aryl-substituted β-diketonate ligands. Solution-processed and vacuum-deposited organic light-emitting diode (OLED) devices of selected complexes were prepared. The vacuum-deposited OLED fabricated with 2 displays a sky-blue emission with a maximum external quantum efficiency (EQE) of 6.71 % and CIE coordinates of (0.22, 0.40). The crystal structures of 7 and 9 reveal short intermolecular AuIII⋅⋅⋅AuIII contacts, with intermetal distances of 3.408 and 3.453 Å, respectively. DFT/TDDFT calculations were performed on 7 and 9 to account for the noncovalent interactions. Solid samples of 1, 3, and 9 exhibit excimeric emission at room temperature, which is rarely reported in AuIII complexes. | - |
dc.language | eng | - |
dc.publisher | Wiley - VCH Verlag GmbH & Co. KGaA. The Journal's web site is located at http://www.wiley-vch.de/publish/en/journals/alphabeticIndex/2451 | - |
dc.relation.ispartof | Chemistry - An Asian Journal | - |
dc.rights | Preprint This is the pre-peer reviewed version of the following article: [FULL CITE], which has been published in final form at [Link to final article]. Authors are not required to remove preprints posted prior to acceptance of the submitted version. Postprint This is the peer reviewed version of the following article: [FULL CITE], which has been published in final form at [Link to final article using the DOI]. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Self-Archiving: http://olabout.wiley.com/WileyCDA/Section/id-828039.html#terms | - |
dc.subject | gold | - |
dc.subject | luminescence | - |
dc.subject | noncovalent interactions | - |
dc.subject | organic light-emitting diodes | - |
dc.subject | photophysics | - |
dc.title | Strongly Luminescent Cyclometalated Gold(III) Complexes Supported by Bidentate Ligands Displaying Intermolecular Interactions and Tunable Emission Energy | - |
dc.type | Article | - |
dc.identifier.email | Chan, KT: kaai@connect.hku.hk | - |
dc.identifier.email | Tong, SM: tongsm@hku.hk | - |
dc.identifier.email | Cheng, G: ggcheng@hku.hk | - |
dc.identifier.email | Yang, C: davidych@connect.hku.hk | - |
dc.identifier.email | Che, CM: chemhead@hku.hk | - |
dc.identifier.authority | Tong, SM=rp00790 | - |
dc.identifier.authority | Cheng, G=rp02145 | - |
dc.identifier.authority | Che, CM=rp00670 | - |
dc.description.nature | link_to_subscribed_fulltext | - |
dc.identifier.doi | 10.1002/asia.201700686 | - |
dc.identifier.pmid | 28586132 | - |
dc.identifier.scopus | eid_2-s2.0-85026372134 | - |
dc.identifier.hkuros | 277703 | - |
dc.identifier.volume | 12 | - |
dc.identifier.issue | 16 | - |
dc.identifier.spage | 2104 | - |
dc.identifier.epage | 2120 | - |
dc.identifier.isi | WOS:000409254100016 | - |
dc.publisher.place | Germany | - |
dc.identifier.issnl | 1861-471X | - |