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Crystals 2018, 8(2), 79; https://doi.org/10.3390/cryst8020079

Unravelling the High-Pressure Behaviour of Dye-Zeolite L Hybrid Materials

1
Elettra-Sincrotrone Trieste, Strada Statale 14-km 163,5 in AREA Science Park, 34149 Basovizza, Trieste, Italy
2
Dipartimento di Scienze della Terra, Università degli Studi di Torino, Via Valperga Caluso 35, 10125-Torino, Italy
3
Interdepartmental Centre “Nanostructure Interfaces and Surfaces NIS”, Via Pietro Giuria 7, 10125-Torino, Italy
4
Dipartimento di Scienza e Alta Tecnologia and INSTM, Università degli Studi dell’Insubria, Via Valleggio 9, I-22100 Como, Italy
5
Dipartimento di Scienze Matematiche e Informatiche, Scienze Fisiche e Scienze della Terra, Università degli Studi di Messina, Viale Ferdinando Stagno d’Alcontres 31, 98166-Messina S.Agata, Italy
6
Swiss-Norwegian Beam Line at ESRF, BP220, 38043 Grenoble CEDEX, France
7
Dipartimento di Scienze Chimiche e Geologiche, Università degli Studi di Modena e Reggio Emilia, Via Giuseppe Campi 103, 41125-Modena, Italy
*
Author to whom correspondence should be addressed.
Received: 11 January 2018 / Revised: 26 January 2018 / Accepted: 29 January 2018 / Published: 2 February 2018
(This article belongs to the Special Issue Functional Multi-Scale Crystals)
Full-Text   |   PDF [6656 KB, uploaded 2 February 2018]   |  

Abstract

Self-assembly of chromophores nanoconfined in porous materials such as zeolite L has led to technologically relevant host-guest systems exploited in solar energy harvesting, photonics, nanodiagnostics and information technology. The response of these hybrid materials to compression, which would be crucial to enhance their application range, has never been explored to date. By a joint high-pressure in situ synchrotron X-ray powder diffraction and ab initio molecular dynamics approach, herein we unravel the high-pressure behaviour of hybrid composites of zeolite L with fluorenone dye. High-pressure experiments were performed up to 6 GPa using non-penetrating pressure transmitting media to study the effect of dye loading on the structural properties of the materials under compression. Computational modelling provided molecular-level insight on the response to compression of the confined dye assemblies, evidencing a pressure-induced strengthening of the interaction between the fluorenone carbonyl group and zeolite L potassium cations. Our results reveal an impressive stability of the fluorenone-zeolite L composites at GPa pressures. The remarkable resilience of the supramolecular organization of dye molecules hyperconfined in zeolite L channels may open the way to the realization of optical devices able to maintain their functionality under extreme conditions. View Full-Text
Keywords: high-pressure chemistry; nanomaterials; supramolecular chemistry; self-assembly; X-ray diffraction; zeolites; density functional calculations; ab initio molecular dynamics; structural refinements; artificial antenna systems; organic-inorganic hybrid materials high-pressure chemistry; nanomaterials; supramolecular chemistry; self-assembly; X-ray diffraction; zeolites; density functional calculations; ab initio molecular dynamics; structural refinements; artificial antenna systems; organic-inorganic hybrid materials
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Gigli, L.; Arletti, R.; Fois, E.; Tabacchi, G.; Quartieri, S.; Dmitriev, V.; Vezzalini, G. Unravelling the High-Pressure Behaviour of Dye-Zeolite L Hybrid Materials. Crystals 2018, 8, 79.

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