Owing to their unique functionalities and tailorable properties that are unattainable in conventional materials, metal-organic frameworks (MOFs) have emerged as candidate materials for next-generation chemical sensors and optoelectronics. For instance, the ZnQ@OX-1 composite material, comprising a light-emitting guest encapsulated in the pores of the OX-1 framework, affords excellent sensing performance: a visible color change upon exposure to volatile acetone. In this work, a multimodal study on the exceptional vapochromism of this composite material using high-resolution spectroscopy techniques based on inelastic neutron scattering and synchrotron radiation is presented, supported by density functional theory calculations. While FTIR spectroscopy in the far-IR and mid-IR regions reveals the underlying interactions between ZnQ, OX-1, and acetone, the limit of detection at 50 ppm is determined through in situ gas dosing experiments using fluorescence spectroscopy. In addition, in situ gas dosing on the single crystal level is achieved with near-field infrared nanospectroscopy.

A Multimodal Study on the Unique Sensing Behavior of a Guest@Metal-Organic Framework Material for the Detection of Volatile Acetone

Civalleri, B;
2022-01-01

Abstract

Owing to their unique functionalities and tailorable properties that are unattainable in conventional materials, metal-organic frameworks (MOFs) have emerged as candidate materials for next-generation chemical sensors and optoelectronics. For instance, the ZnQ@OX-1 composite material, comprising a light-emitting guest encapsulated in the pores of the OX-1 framework, affords excellent sensing performance: a visible color change upon exposure to volatile acetone. In this work, a multimodal study on the exceptional vapochromism of this composite material using high-resolution spectroscopy techniques based on inelastic neutron scattering and synchrotron radiation is presented, supported by density functional theory calculations. While FTIR spectroscopy in the far-IR and mid-IR regions reveals the underlying interactions between ZnQ, OX-1, and acetone, the limit of detection at 50 ppm is determined through in situ gas dosing experiments using fluorescence spectroscopy. In addition, in situ gas dosing on the single crystal level is achieved with near-field infrared nanospectroscopy.
2022
10
3
2201401
2201401
gas dosing; inelastic neutron scattering; infrared spectroscopy; metal-organic frameworks; sensing mechanism
Moeslein, AF; Gutierrez, M; Titov, K; Dona, L; Civalleri, B; Frogley, MD; Cinque, G; Rudic, S; Tan, JC
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/2318/1893175
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