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

Enrico Podda; Massimiliano Arca; Anna Pintus; Vito Lippolis; Claudia Caltagirone; Simon J. Coles; James B. Orton; Guido Ennas; Giacomo Picci; Robert P. Davies; M. Carla Aragoni

doi:10.1039/D2CE01552H

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†

Enrico Podda,

^ab Massimiliano Arca,

^a Anna Pintus,

^a Vito Lippolis,

^a Claudia Caltagirone,

^a Simon J. Coles,

^d James B. Orton,

^d Guido Ennas,

^a Giacomo Picci,

^a Robert P. Davies

*^c and M. Carla Aragoni

*^a

Author affiliations

* Corresponding authors

^a Dipartimento di Scienze Chimiche e Geologiche, Università degli Studi di Cagliari, Cittadella Universitaria, SS. 554 bivio Sestu, 09042 Monserrato – Cagliari, Italy
E-mail: aragoni@unica.it

^b Centro Servizi di Ateneo per la Ricerca, Università degli Studi di Cagliari, Cittadella Universitaria, SS. 554 bivio Sestu, 09042 Monserrato – Cagliari, Italy

^c Department of Chemistry, Imperial College London, White City Campus, 80 Wood Lane, London W12 0BZ, UK
E-mail: r.davies@imperial.ac.uk

^d UK National Crystallography Service, School of Chemistry, Faculty of Engineering and Physical Sciences, University of Southampton, UK

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 Cd^II 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.

CrystEngComm

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†

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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

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