Pore shape modification of a microporous metal–organic framework using high pressure: accessing a new phase with oversized guest molecules

Scott C. McKellar; Jorge Sotelo; Alex Greenaway; John P. S. Mowat; Odin Kvam; Carole A. Morrison; Paul A. Wright; Stephen A. Moggach

doi:10.1021/acs.chemmater.5b02891

Pore shape modification of a microporous metal–organic framework using high pressure: accessing a new phase with oversized guest molecules

Scott C. McKellar, Jorge Sotelo, Alex Greenaway, John P. S. Mowat, Odin Kvam, Carole A. Morrison, Paul A. Wright, Stephen A. Moggach

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

Abstract

Pressures up to 0.8 GPa have been used to squeeze a range of sterically "oversized" C5-C8 alkane guest molecules into the cavities of a small-pore Sc-based metal?organic framework. Guest inclusion causes a pronounced reorientation of the aromatic rings of one-third of the terephthalate linkers, which act as "torsion springs", resulting in a fully reversible change in the local pore structure. The study demonstrates how pressure-induced guest uptake can be used to investigate framework flexibility relevant to "breathing" behavior and to understand the uptake of guest molecules in MOFs relevant to hydrocarbon separation.

Original language	English
Pages (from-to)	466-473
Number of pages	8
Journal	Chemistry of Materials
Volume	28
Issue number	2
DOIs	https://doi.org/10.1021/acs.chemmater.5b02891
Publication status	Published - 26 Jan 2016

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10.1021/acs.chemmater.5b02891

Wright_PoreShapeModification_CoM_AM
Copyright © 2015 American Chemical Society. This work is made available online in accordance with the publisher’s policies. This is the author created, accepted version manuscript following peer review and may differ slightly from the final published version. The final published version of this work is available at https://dx.doi.org/10.1021/acs.chemmater.5b02891
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title = "Pore shape modification of a microporous metal–organic framework using high pressure: accessing a new phase with oversized guest molecules",

abstract = "Pressures up to 0.8 GPa have been used to squeeze a range of sterically {"}oversized{"} C5-C8 alkane guest molecules into the cavities of a small-pore Sc-based metal?organic framework. Guest inclusion causes a pronounced reorientation of the aromatic rings of one-third of the terephthalate linkers, which act as {"}torsion springs{"}, resulting in a fully reversible change in the local pore structure. The study demonstrates how pressure-induced guest uptake can be used to investigate framework flexibility relevant to {"}breathing{"} behavior and to understand the uptake of guest molecules in MOFs relevant to hydrocarbon separation.",

author = "McKellar, {Scott C.} and Jorge Sotelo and Alex Greenaway and Mowat, {John P. S.} and Odin Kvam and Morrison, {Carole A.} and Wright, {Paul A.} and Moggach, {Stephen A.}",

note = "The authors thank the Royal Society of Edinburgh and the Scottish Government for a fellowship to S.A.M. The authors thank EPSRC (EP/J02077X/1) and Leverhulme Trust for a research project grant (RPG-209) for financial support. They also thank the UK Carr Parinello consortium for allocation of computing time on the EPSRC high performance computing resource ARCHER (managed by the Edinburgh Parallel Computing Centre, the EaSTCHEM Research Computing Facility and the University of Edinburgh ECDF facility). ",

year = "2016",

month = jan,

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doi = "10.1021/acs.chemmater.5b02891",

language = "English",

volume = "28",

pages = "466--473",

journal = "Chemistry of Materials",

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T1 - Pore shape modification of a microporous metal–organic framework using high pressure

T2 - accessing a new phase with oversized guest molecules

AU - McKellar, Scott C.

AU - Sotelo, Jorge

AU - Greenaway, Alex

AU - Mowat, John P. S.

AU - Kvam, Odin

AU - Morrison, Carole A.

AU - Wright, Paul A.

AU - Moggach, Stephen A.

N1 - The authors thank the Royal Society of Edinburgh and the Scottish Government for a fellowship to S.A.M. The authors thank EPSRC (EP/J02077X/1) and Leverhulme Trust for a research project grant (RPG-209) for financial support. They also thank the UK Carr Parinello consortium for allocation of computing time on the EPSRC high performance computing resource ARCHER (managed by the Edinburgh Parallel Computing Centre, the EaSTCHEM Research Computing Facility and the University of Edinburgh ECDF facility).

PY - 2016/1/26

Y1 - 2016/1/26

N2 - Pressures up to 0.8 GPa have been used to squeeze a range of sterically "oversized" C5-C8 alkane guest molecules into the cavities of a small-pore Sc-based metal?organic framework. Guest inclusion causes a pronounced reorientation of the aromatic rings of one-third of the terephthalate linkers, which act as "torsion springs", resulting in a fully reversible change in the local pore structure. The study demonstrates how pressure-induced guest uptake can be used to investigate framework flexibility relevant to "breathing" behavior and to understand the uptake of guest molecules in MOFs relevant to hydrocarbon separation.

AB - Pressures up to 0.8 GPa have been used to squeeze a range of sterically "oversized" C5-C8 alkane guest molecules into the cavities of a small-pore Sc-based metal?organic framework. Guest inclusion causes a pronounced reorientation of the aromatic rings of one-third of the terephthalate linkers, which act as "torsion springs", resulting in a fully reversible change in the local pore structure. The study demonstrates how pressure-induced guest uptake can be used to investigate framework flexibility relevant to "breathing" behavior and to understand the uptake of guest molecules in MOFs relevant to hydrocarbon separation.

UR - http://pubs.acs.org/doi/suppl/10.1021/acs.chemmater.5b02891

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SP - 466

EP - 473

JO - Chemistry of Materials

JF - Chemistry of Materials

IS - 2

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Pore shape modification of a microporous metal–organic framework using high pressure: accessing a new phase with oversized guest molecules

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

Data underpinning - Pore shape modification of a microporous metal–organic framework using high pressure: accessing a new phase with oversized guest molecules

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Pore shape modification of a microporous metal–organic framework using high pressure: accessing a new phase with oversized guest molecules

Abstract

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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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Data underpinning - Pore shape modification of a microporous metal–organic framework using high pressure: accessing a new phase with oversized guest molecules

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