On the role of torsional dynamics in the solid-state fluorescent properties of a new bifluorene–tetracarboxylic acid and its supramolecular assemblies: a structural and TD-DFT investigation
On the role of torsional dynamics in the solid-state fluorescent properties of a new bifluorene–tetracarboxylic acid and its supramolecular assemblies: a structural and TD-DFT investigation
A novel butterfly-shaped tetracarboxylic acid [9,9′-methylene-bis(9-methylfluorene-2,7-dicarboxylic acid), H4L] featuring a co-facial bifluorene core was designed and synthesised. Reactions of H4L with CdII produced the luminescent supramolecular frameworks 2 and 3, with different dimensionalities and wingspans of L4−. Their solid-state emission properties were rationalised based on the torsional dynamics of the facing bifluorene units by means of X-ray diffraction analysis and TD-DFT calculations.
1058-1066
Podda, Enrico
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Arca, Massimiliano
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Pintus, Anna
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Lippolis, Vito
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Caltagirone, Claudia
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Coles, Simon J.
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Orton, James
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Ennas, Guido
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Picci, Giacomo
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Davies, Robert P.
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Carla Aragoni, M.
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13 February 2023
Podda, Enrico
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Arca, Massimiliano
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Pintus, Anna
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Lippolis, Vito
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Caltagirone, Claudia
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Coles, Simon J.
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Orton, James
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Ennas, Guido
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Picci, Giacomo
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Davies, Robert P.
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Carla Aragoni, M.
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Podda, Enrico, Arca, Massimiliano, Pintus, Anna, Lippolis, Vito, Caltagirone, Claudia, Coles, Simon J., Orton, James, Ennas, Guido, Picci, Giacomo, Davies, Robert P. and Carla Aragoni, M.
(2023)
On the role of torsional dynamics in the solid-state fluorescent properties of a new bifluorene–tetracarboxylic acid and its supramolecular assemblies: a structural and TD-DFT investigation.
CrystEngComm, 25 (7), .
(doi:10.1039/D2CE01552H).
Abstract
A novel butterfly-shaped tetracarboxylic acid [9,9′-methylene-bis(9-methylfluorene-2,7-dicarboxylic acid), H4L] featuring a co-facial bifluorene core was designed and synthesised. Reactions of H4L with CdII produced the luminescent supramolecular frameworks 2 and 3, with different dimensionalities and wingspans of L4−. Their solid-state emission properties were rationalised based on the torsional dynamics of the facing bifluorene units by means of X-ray diffraction analysis and TD-DFT calculations.
Text
d2ce01552h
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More information
Accepted/In Press date: 9 January 2023
e-pub ahead of print date: 17 January 2023
Published date: 13 February 2023
Additional Information:
Funding Information:
The authors kindly acknowledge CINECA for the computational resources on the Galileo100 supercomputer accessed within the ISCRA project BIFluoex, Fondazione di Sardegna for financial support, CeSAR for PXRD facilities, and Daniele Mele for the TOC and the cover artwork. GP would like to thank the Italian Ministry of Education (MUR) for a postdoc scholarship (PRIN 2017 project 2017EKCS35).
Publisher Copyright:
© 2023 The Royal Society of Chemistry.
Identifiers
Local EPrints ID: 475723
URI: http://eprints.soton.ac.uk/id/eprint/475723
ISSN: 1466-8033
PURE UUID: 2c1a72eb-8146-49f6-9ede-34d350363d76
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Date deposited: 27 Mar 2023 16:33
Last modified: 17 Mar 2024 02:48
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Contributors
Author:
Enrico Podda
Author:
Massimiliano Arca
Author:
Anna Pintus
Author:
Vito Lippolis
Author:
Claudia Caltagirone
Author:
James Orton
Author:
Guido Ennas
Author:
Giacomo Picci
Author:
Robert P. Davies
Author:
M. Carla Aragoni
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