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

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, compr...

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Main Authors: Annika F. Möslein, Mario Gutiérrez, Kirill Titov, Lorenzo Donà, Bartolomeo Civalleri, Mark D. Frogley, Gianfelice Cinque, Svemir Rudić, Jin‐Chong Tan
Format: Article
Language:English
Published: Wiley-VCH 2023-01-01
Series:Advanced Materials Interfaces
Subjects:
Online Access:https://doi.org/10.1002/admi.202201401
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author Annika F. Möslein
Mario Gutiérrez
Kirill Titov
Lorenzo Donà
Bartolomeo Civalleri
Mark D. Frogley
Gianfelice Cinque
Svemir Rudić
Jin‐Chong Tan
author_facet Annika F. Möslein
Mario Gutiérrez
Kirill Titov
Lorenzo Donà
Bartolomeo Civalleri
Mark D. Frogley
Gianfelice Cinque
Svemir Rudić
Jin‐Chong Tan
author_sort Annika F. Möslein
collection DOAJ
description 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.
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spelling doaj.art-3efbc5ff9f8a4a10afdff197158b1f6b2023-08-31T08:56:33ZengWiley-VCHAdvanced Materials Interfaces2196-73502023-01-01103n/an/a10.1002/admi.202201401A Multimodal Study on the Unique Sensing Behavior of a Guest@Metal‐Organic Framework Material for the Detection of Volatile AcetoneAnnika F. Möslein0Mario Gutiérrez1Kirill Titov2Lorenzo Donà3Bartolomeo Civalleri4Mark D. Frogley5Gianfelice Cinque6Svemir Rudić7Jin‐Chong Tan8Multifunctional Materials and Composites (MMC) Laboratory Department of Engineering Science University of Oxford Parks Road Oxford OX1 3PJ UKMultifunctional Materials and Composites (MMC) Laboratory Department of Engineering Science University of Oxford Parks Road Oxford OX1 3PJ UKMultifunctional Materials and Composites (MMC) Laboratory Department of Engineering Science University of Oxford Parks Road Oxford OX1 3PJ UKDipartimento di Chimica Università di Torino Via P. Giuria 5 Torino 10125 ItalyDipartimento di Chimica Università di Torino Via P. Giuria 5 Torino 10125 ItalyDiamond Light Source Harwell Campus Chilton Oxford OX11 0DE UKMultifunctional Materials and Composites (MMC) Laboratory Department of Engineering Science University of Oxford Parks Road Oxford OX1 3PJ UKSTFC Rutherford Appleton Laboratory ISIS Neutron and Muon Source Chilton Didcot OX11 0QX UKMultifunctional Materials and Composites (MMC) Laboratory Department of Engineering Science University of Oxford Parks Road Oxford OX1 3PJ UKAbstract 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.https://doi.org/10.1002/admi.202201401gas dosinginelastic neutron scatteringinfrared spectroscopymetal‐organic frameworkssensing mechanism
spellingShingle Annika F. Möslein
Mario Gutiérrez
Kirill Titov
Lorenzo Donà
Bartolomeo Civalleri
Mark D. Frogley
Gianfelice Cinque
Svemir Rudić
Jin‐Chong Tan
A Multimodal Study on the Unique Sensing Behavior of a Guest@Metal‐Organic Framework Material for the Detection of Volatile Acetone
Advanced Materials Interfaces
gas dosing
inelastic neutron scattering
infrared spectroscopy
metal‐organic frameworks
sensing mechanism
title A Multimodal Study on the Unique Sensing Behavior of a Guest@Metal‐Organic Framework Material for the Detection of Volatile Acetone
title_full A Multimodal Study on the Unique Sensing Behavior of a Guest@Metal‐Organic Framework Material for the Detection of Volatile Acetone
title_fullStr A Multimodal Study on the Unique Sensing Behavior of a Guest@Metal‐Organic Framework Material for the Detection of Volatile Acetone
title_full_unstemmed A Multimodal Study on the Unique Sensing Behavior of a Guest@Metal‐Organic Framework Material for the Detection of Volatile Acetone
title_short A Multimodal Study on the Unique Sensing Behavior of a Guest@Metal‐Organic Framework Material for the Detection of Volatile Acetone
title_sort multimodal study on the unique sensing behavior of a guest metal organic framework material for the detection of volatile acetone
topic gas dosing
inelastic neutron scattering
infrared spectroscopy
metal‐organic frameworks
sensing mechanism
url https://doi.org/10.1002/admi.202201401
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