In situ synchrotron IR microspectroscopy of CO2 adsorption on single crystals of the functionalised MOF, Sc2(BDC-NH2)3

Alex Greenaway; Berenice Gonzalez Santiago; Paul Donaldson; Mark Frogley; Gianfelice Cinque; Jorge Sotelo; Stephen Moggach; Elenica Shiko; Stefano Brandani; Russell Howe; Paul Anthony Wright

doi:10.1002/anie.201408369

In situ synchrotron IR microspectroscopy of CO₂ adsorption on single crystals of the functionalised MOF, Sc₂(BDC-NH₂)₃

Alex Greenaway, Berenice Gonzalez Santiago, Paul Donaldson, Mark Frogley, Gianfelice Cinque, Jorge Sotelo, Stephen Moggach, Elenica Shiko, Stefano Brandani, Russell Howe^*, Paul Anthony Wright^*

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

Abstract

Synchrotron radiation (SR) IR microspectroscopy has enabled determination of the thermodynamics, kinetics, and molecular orientation of CO₂ adsorbed in single microcrystals of a functionalized metal–organic framework (MOF) under conditions relevant to carbon capture from flue gases. Single crystals of the small-pore MOF, Sc₂(BDC-NH₂)₃, (BDC-NH₂=2-amino-1,4-benzenedicarboxylate), with well-defined crystal form have been investigated during CO₂ uptake at partial pressures of 0.025-0.2 bar at 298–373 K. The enthalpy and diffusivity of adsorption determined from individual single crystals are consistent with values obtained from measurements on bulk samples. The brilliant SR IR source permits rapid collection of polarized spectra. Strong variations in absorbance of the symmetric stretch of the NH₂ groups of the MOF and the asymmetric stretch of the adsorbed CO₂ at different orientations of the crystals relative to the polarized IR light show that CO₂ molecules align along channels in the MOF.

Original language	English
Pages (from-to)	13483-13487
Number of pages	4
Journal	Angewandte Chemie International Edition
Volume	53
Issue number	49
Early online date	7 Nov 2014
DOIs	https://doi.org/10.1002/anie.201408369
Publication status	Published - 27 Nov 2014

Keywords

Analytical methods
Carbon dioxide adsoption
IR spectroscopy
Metal-organic frameworks
Single crystals

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Greenaway_2014_ACIE_InSitu_CC
© 2014 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA. This is an open access article under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0/), which permits use, distribution and reproduction in any medium, provided the original work is properly cited.
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Greenaway, A., Gonzalez Santiago, B., Donaldson, P., Frogley, M., Cinque, G., Sotelo, J., Moggach, S., Shiko, E., Brandani, S., Howe, R., & Wright, P. A. (2014). In situ synchrotron IR microspectroscopy of CO₂ adsorption on single crystals of the functionalised MOF, Sc₂(BDC-NH₂)₃. Angewandte Chemie International Edition, 53(49), 13483-13487. https://doi.org/10.1002/anie.201408369

@article{d75bd8639736440793f8b1ed20607a34,

title = "In situ synchrotron IR microspectroscopy of CO2 adsorption on single crystals of the functionalised MOF, Sc2(BDC-NH2)3",

abstract = "Synchrotron radiation (SR) IR microspectroscopy has enabled determination of the thermodynamics, kinetics, and molecular orientation of CO2 adsorbed in single microcrystals of a functionalized metal–organic framework (MOF) under conditions relevant to carbon capture from flue gases. Single crystals of the small-pore MOF, Sc2(BDC-NH2)3, (BDC-NH2=2-amino-1,4-benzenedicarboxylate), with well-defined crystal form have been investigated during CO2 uptake at partial pressures of 0.025-0.2 bar at 298–373 K. The enthalpy and diffusivity of adsorption determined from individual single crystals are consistent with values obtained from measurements on bulk samples. The brilliant SR IR source permits rapid collection of polarized spectra. Strong variations in absorbance of the symmetric stretch of the NH2 groups of the MOF and the asymmetric stretch of the adsorbed CO2 at different orientations of the crystals relative to the polarized IR light show that CO2 molecules align along channels in the MOF.",

keywords = "Analytical methods, Carbon dioxide adsoption, IR spectroscopy, Metal-organic frameworks, Single crystals",

author = "Alex Greenaway and {Gonzalez Santiago}, Berenice and Paul Donaldson and Mark Frogley and Gianfelice Cinque and Jorge Sotelo and Stephen Moggach and Elenica Shiko and Stefano Brandani and Russell Howe and Wright, {Paul Anthony}",

note = "The authors thank the EPSRC (Grant Number: EP/J02077X/1), CONACYT Mexico, and the University of Edinburgh for funding this research.",

year = "2014",

month = nov,

day = "27",

doi = "10.1002/anie.201408369",

language = "English",

volume = "53",

pages = "13483--13487",

journal = "Angewandte Chemie International Edition",

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Greenaway, A, Gonzalez Santiago, B, Donaldson, P, Frogley, M, Cinque, G, Sotelo, J, Moggach, S, Shiko, E, Brandani, S, Howe, R & Wright, PA 2014, 'In situ synchrotron IR microspectroscopy of CO₂ adsorption on single crystals of the functionalised MOF, Sc₂(BDC-NH₂)₃', Angewandte Chemie International Edition, vol. 53, no. 49, pp. 13483-13487. https://doi.org/10.1002/anie.201408369

TY - JOUR

T1 - In situ synchrotron IR microspectroscopy of CO2 adsorption on single crystals of the functionalised MOF, Sc2(BDC-NH2)3

AU - Greenaway, Alex

AU - Gonzalez Santiago, Berenice

AU - Donaldson, Paul

AU - Frogley, Mark

AU - Cinque, Gianfelice

AU - Sotelo, Jorge

AU - Moggach, Stephen

AU - Shiko, Elenica

AU - Brandani, Stefano

AU - Howe, Russell

AU - Wright, Paul Anthony

N1 - The authors thank the EPSRC (Grant Number: EP/J02077X/1), CONACYT Mexico, and the University of Edinburgh for funding this research.

PY - 2014/11/27

Y1 - 2014/11/27

N2 - Synchrotron radiation (SR) IR microspectroscopy has enabled determination of the thermodynamics, kinetics, and molecular orientation of CO2 adsorbed in single microcrystals of a functionalized metal–organic framework (MOF) under conditions relevant to carbon capture from flue gases. Single crystals of the small-pore MOF, Sc2(BDC-NH2)3, (BDC-NH2=2-amino-1,4-benzenedicarboxylate), with well-defined crystal form have been investigated during CO2 uptake at partial pressures of 0.025-0.2 bar at 298–373 K. The enthalpy and diffusivity of adsorption determined from individual single crystals are consistent with values obtained from measurements on bulk samples. The brilliant SR IR source permits rapid collection of polarized spectra. Strong variations in absorbance of the symmetric stretch of the NH2 groups of the MOF and the asymmetric stretch of the adsorbed CO2 at different orientations of the crystals relative to the polarized IR light show that CO2 molecules align along channels in the MOF.

AB - Synchrotron radiation (SR) IR microspectroscopy has enabled determination of the thermodynamics, kinetics, and molecular orientation of CO2 adsorbed in single microcrystals of a functionalized metal–organic framework (MOF) under conditions relevant to carbon capture from flue gases. Single crystals of the small-pore MOF, Sc2(BDC-NH2)3, (BDC-NH2=2-amino-1,4-benzenedicarboxylate), with well-defined crystal form have been investigated during CO2 uptake at partial pressures of 0.025-0.2 bar at 298–373 K. The enthalpy and diffusivity of adsorption determined from individual single crystals are consistent with values obtained from measurements on bulk samples. The brilliant SR IR source permits rapid collection of polarized spectra. Strong variations in absorbance of the symmetric stretch of the NH2 groups of the MOF and the asymmetric stretch of the adsorbed CO2 at different orientations of the crystals relative to the polarized IR light show that CO2 molecules align along channels in the MOF.

KW - Analytical methods

KW - Carbon dioxide adsoption

KW - IR spectroscopy

KW - Metal-organic frameworks

KW - Single crystals

UR - http://onlinelibrary.wiley.com/doi/10.1002/anie.201408369/suppinfo

U2 - 10.1002/anie.201408369

DO - 10.1002/anie.201408369

M3 - Article

SN - 1433-7851

VL - 53

SP - 13483

EP - 13487

JO - Angewandte Chemie International Edition

JF - Angewandte Chemie International Edition

IS - 49

ER -

In situ synchrotron IR microspectroscopy of CO₂ adsorption on single crystals of the functionalised MOF, Sc₂(BDC-NH₂)₃

Abstract

Keywords

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Carbon capture from Gas Power Plants: Adsorption Materials and Processes for Carbon Capture from Gas-Fired Power Plants - AMPGas

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In situ synchrotron IR microspectroscopy of CO2 adsorption on single crystals of the functionalised MOF, Sc2(BDC-NH2)3

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Keywords

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Carbon capture from Gas Power Plants: Adsorption Materials and Processes for Carbon Capture from Gas-Fired Power Plants - AMPGas

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In situ synchrotron IR microspectroscopy of CO₂ adsorption on single crystals of the functionalised MOF, Sc₂(BDC-NH₂)₃