In situ single-crystal synchrotron X-ray diffraction studies of biologically active gases in metal-organic frameworks

Russell M. Main; Simon M. Vornholt; Cameron M. Rice; Caroline Elliott; Samantha E. Russell; Peter Kerr; Mark R. Warren; Russell E. Morris

doi:10.1038/s42004-023-00845-1

In situ single-crystal synchrotron X-ray diffraction studies of biologically active gases in metal-organic frameworks

Russell M. Main, Simon M. Vornholt, Cameron M. Rice, Caroline Elliott, Samantha E. Russell, Peter Kerr, Mark R. Warren, Russell E. Morris^*

^*Corresponding author for this work

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

Abstract

Metal-organic frameworks (MOFs) are well known for their ability to adsorb various gases. The use of MOFs for the storage and release of biologically active gases, particularly nitric oxide (NO) and carbon monoxide (CO), has been a subject of interest. To elucidate the binding mechanisms and geometry of these gases, an in situ single crystal X-ray diffraction (scXRD) study using synchrotron radiation at Diamond Light Source has been performed on a set of MOFs that display promising gas adsorption properties. NO and CO, were introduced into activated Ni-CPO-27 and the related Co-4,6-dihydroxyisophthalate (Co-4,6-dhip). Both MOFs show strong binding affinity towards CO and NO, however CO suffers more from competitive co-adsorption of water. Additionally, we show that morphology can play an important role in the ease of dehydration for these two systems.

Original language	English
Article number	44
Number of pages	7
Journal	Communications Chemistry
Volume	6
DOIs	https://doi.org/10.1038/s42004-023-00845-1
Publication status	Published - 1 Mar 2023

Keywords

Metal-organic framework
MOF-74
CPO-27
Modulation chemistry
NO
CO
scXRD
Gas adsorption
Single crystal transformation

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10.1038/s42004-023-00845-1Licence: CC BY

Main_2023_CC_Single-crystalsynchrotron_CC
Copyright © The Author(s) 2023. Open Access. This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.
Final published version, 1.51 MBLicence: CC BY

H2020 ERC Advanced Grant 2017 ADOR: H2020 ERC Advanced Grant 2017 ADOR
Morris, R. (PI)
European Research Council
1/10/18 → 30/09/23
Project: Fellowship
CRITICAT CDT: Critical Resource Catalysis - CRITICAT
Smith, A. (PI), Nolan, S. (CoI) & Westwood, N. (CoI)
EPSRC
1/05/14 → 31/10/22
Project: Standard

Novel flexible MOFs, their application and in situ scXRD studies of gas loaded MOFs (thesis data)
Main, R. M. (Creator) & Morris, R. E. (Supervisor), University of St Andrews, 4 Nov 2025
DOI: 10.17630/b4cca01c-1cc0-4c11-a672-8cc7b3cb5871
Dataset: Thesis dataset

File
In Situ single-crystal synchrotron X-ray Diffraction Studies of Biologically Active Gases in Metal-Organic Frameworks (dataset)
Main, R. M. (Creator), Vornholt, S. M. (Creator), Rice, C. M. (Creator), Elliott, C. (Creator), Russell, S. E. (Creator), Kerr, P. J. (Creator), Warren, M. R. (Creator) & Morris, R. E. (Creator), University of St Andrews, 30 Mar 2023
DOI: 10.17630/fbdce016-623f-48f3-898c-f95216eaaab1
Dataset

File

Novel flexible MOFs, their application and in situ scXRD studies of gas loaded MOFs
Main, R. M. (Author), Morris, R. E. (Supervisor), 4 Dec 2024
Student thesis: Doctoral Thesis (PhD)

Cite this

@article{01427b42c14b48898c1189a0ba3c712d,

title = "In situ single-crystal synchrotron X-ray diffraction studies of biologically active gases in metal-organic frameworks",

abstract = "Metal-organic frameworks (MOFs) are well known for their ability to adsorb various gases. The use of MOFs for the storage and release of biologically active gases, particularly nitric oxide (NO) and carbon monoxide (CO), has been a subject of interest. To elucidate the binding mechanisms and geometry of these gases, an in situ single crystal X-ray diffraction (scXRD) study using synchrotron radiation at Diamond Light Source has been performed on a set of MOFs that display promising gas adsorption properties. NO and CO, were introduced into activated Ni-CPO-27 and the related Co-4,6-dihydroxyisophthalate (Co-4,6-dhip). Both MOFs show strong binding affinity towards CO and NO, however CO suffers more from competitive co-adsorption of water. Additionally, we show that morphology can play an important role in the ease of dehydration for these two systems.",

keywords = "Metal-organic framework, MOF-74, CPO-27, Modulation chemistry, NO, CO, scXRD, Gas adsorption, Single crystal transformation",

author = "Main, {Russell M.} and Vornholt, {Simon M.} and Rice, {Cameron M.} and Caroline Elliott and Russell, {Samantha E.} and Peter Kerr and Warren, {Mark R.} and Morris, {Russell E.}",

note = "Funding: The authors are also grateful for financial assistance from the ERC under advanced grant 787073, the EPSRC for a studentship (EP/N509759/1) and the CRITICAT Centre for Doctoral Training (EP/L016419/1). ",

year = "2023",

month = mar,

day = "1",

doi = "10.1038/s42004-023-00845-1",

language = "English",

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journal = "Communications Chemistry",

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TY - JOUR

T1 - In situ single-crystal synchrotron X-ray diffraction studies of biologically active gases in metal-organic frameworks

AU - Main, Russell M.

AU - Vornholt, Simon M.

AU - Rice, Cameron M.

AU - Elliott, Caroline

AU - Russell, Samantha E.

AU - Kerr, Peter

AU - Warren, Mark R.

AU - Morris, Russell E.

N1 - Funding: The authors are also grateful for financial assistance from the ERC under advanced grant 787073, the EPSRC for a studentship (EP/N509759/1) and the CRITICAT Centre for Doctoral Training (EP/L016419/1).

PY - 2023/3/1

Y1 - 2023/3/1

N2 - Metal-organic frameworks (MOFs) are well known for their ability to adsorb various gases. The use of MOFs for the storage and release of biologically active gases, particularly nitric oxide (NO) and carbon monoxide (CO), has been a subject of interest. To elucidate the binding mechanisms and geometry of these gases, an in situ single crystal X-ray diffraction (scXRD) study using synchrotron radiation at Diamond Light Source has been performed on a set of MOFs that display promising gas adsorption properties. NO and CO, were introduced into activated Ni-CPO-27 and the related Co-4,6-dihydroxyisophthalate (Co-4,6-dhip). Both MOFs show strong binding affinity towards CO and NO, however CO suffers more from competitive co-adsorption of water. Additionally, we show that morphology can play an important role in the ease of dehydration for these two systems.

AB - Metal-organic frameworks (MOFs) are well known for their ability to adsorb various gases. The use of MOFs for the storage and release of biologically active gases, particularly nitric oxide (NO) and carbon monoxide (CO), has been a subject of interest. To elucidate the binding mechanisms and geometry of these gases, an in situ single crystal X-ray diffraction (scXRD) study using synchrotron radiation at Diamond Light Source has been performed on a set of MOFs that display promising gas adsorption properties. NO and CO, were introduced into activated Ni-CPO-27 and the related Co-4,6-dihydroxyisophthalate (Co-4,6-dhip). Both MOFs show strong binding affinity towards CO and NO, however CO suffers more from competitive co-adsorption of water. Additionally, we show that morphology can play an important role in the ease of dehydration for these two systems.

KW - Metal-organic framework

KW - MOF-74

KW - CPO-27

KW - Modulation chemistry

KW - NO

KW - CO

KW - scXRD

KW - Gas adsorption

KW - Single crystal transformation

U2 - 10.1038/s42004-023-00845-1

DO - 10.1038/s42004-023-00845-1

M3 - Article

SN - 2399-3669

VL - 6

JO - Communications Chemistry

JF - Communications Chemistry

M1 - 44

ER -

In situ single-crystal synchrotron X-ray diffraction studies of biologically active gases in metal-organic frameworks

Abstract

Keywords

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Projects

H2020 ERC Advanced Grant 2017 ADOR: H2020 ERC Advanced Grant 2017 ADOR

CRITICAT CDT: Critical Resource Catalysis - CRITICAT

Datasets

Novel flexible MOFs, their application and in situ scXRD studies of gas loaded MOFs (thesis data)

In Situ single-crystal synchrotron X-ray Diffraction Studies of Biologically Active Gases in Metal-Organic Frameworks (dataset)

Student theses

Novel flexible MOFs, their application and in situ scXRD studies of gas loaded MOFs

Cite this