Amides Do Not Always Work: Observation of Guest Binding in an Amide-Functionalised Porous Host

Oguarabau Benson; Ivan Da Silva; Stephen P. Argent; Rafel Cabot; Mathew Savage; Harry Godfrey; Yong Yan; Stewart F. Parker; Pascal Manuel; Matthew   Lennox; Tamoghna Mitra; Timothy Easun; William Lewis; Alexander Blake; Elena Besley; Sihai Yang; Martin Schroder

doi:10.1021/jacs.6b08059

Amides Do Not Always Work: Observation of Guest Binding in an Amide-Functionalised Porous Host

Oguarabau Benson, Ivan Da Silva, Stephen P. Argent, Rafel Cabot, Mathew Savage, Harry Godfrey, Yong Yan, Stewart F. Parker, Pascal Manuel, Matthew Lennox , Tamoghna Mitra , Timothy Easun, William Lewis , Alexander Blake, Elena Besley, Sihai Yang, Martin Schroder

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Abstract

An amide-functionalised metal organic framework
(MOF) material, MFM-136, shows a high CO2 uptake of
12.6 mmol g-1 at 20 bar and 298 K. MFM-136 is the first example
of acylamide pyrimidyl isophthalate MOF without
open metal sites, and thus provides a unique platform to
study guest binding, particularly the role of free amides.
Neutron diffraction reveals that, surprisingly, there is no
direct binding between the adsorbed CO2/CH4 molecules
and the pendant amide group in the pore. This observation
has been confirmed unambiguously by inelastic neutron
spectroscopy. This suggests that introduction of functional
groups solely may not necessarily induce specific guest-host
binding in porous materials, but it is a combination of pore
size, geometry, and functional group that leads to enhanced
gas adsorption properties.

Original language	English
Pages (from-to)	14828-14831
Number of pages	4
Journal	Journal of the American Chemical Society
Volume	138
Issue number	45
DOIs	https://doi.org/10.1021/jacs.6b08059
Publication status	Published - 1 Nov 2016

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jacs.6b08059Final published version, 2.08 MBLicence: CC BY

CCDC 1481609: Experimental Crystal Structure Determination
Benson, O. (Contributor), Da Silva, I. (Contributor), Argent, S. P. (Contributor), Cabot, R. (Contributor), Savage, M. (Contributor), Godfrey, H. (Contributor), Yan, Y. (Contributor), Parker, S. F. (Contributor), Manuel, P. (Contributor), Lennox , M. (Contributor), Mitra, T. (Contributor), Easun, T. (Contributor), Lewis, W. (Contributor), Blake, A. (Contributor), Besley, E. (Contributor), Yang, S. (Contributor) & Schroder, M. (Contributor), Cambridge Crystallographic Data Centre, 1 Jan 2016
DOI: 10.5517/ccdc.csd.cc1lqqvw, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc1lqqvw&sid=DataCite
Dataset
CCDC 1452775: Experimental Crystal Structure Determination
Benson, O. (Contributor), Da Silva, I. (Contributor), Argent, S. P. (Contributor), Cabot, R. (Contributor), Savage, M. (Contributor), Godfrey, H. (Contributor), Yan, Y. (Contributor), Parker, S. F. (Contributor), Manuel, P. (Contributor), Lennox , M. (Contributor), Mitra, T. (Contributor), Easun, T. (Contributor), Lewis, W. (Contributor), Blake, A. (Contributor), Besley, E. (Contributor), Yang, S. (Contributor) & Schroder, M. (Contributor), Cambridge Crystallographic Data Centre, 1 Jan 2016
DOI: 10.5517/ccdc.csd.cc1krqqr, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc1krqqr&sid=DataCite
Dataset
CCDC 1504702: Experimental Crystal Structure Determination
Benson, O. (Contributor), Da Silva, I. (Contributor), Argent, S. P. (Contributor), Cabot, R. (Contributor), Savage, M. (Contributor), Godfrey, H. (Contributor), Yan, Y. (Contributor), Parker, S. F. (Contributor), Manuel, P. (Contributor), Lennox , M. (Contributor), Mitra, T. (Contributor), Easun, T. (Contributor), Lewis, W. (Contributor), Blake, A. (Contributor), Besley, E. (Contributor), Yang, S. (Contributor) & Schroder, M. (Contributor), Cambridge Crystallographic Data Centre, 1 Jan 2016
DOI: 10.5517/ccdc.csd.cc1mhrsn, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc1mhrsn&sid=DataCite
Dataset

Cite this

Benson, O., Da Silva, I., Argent, S. P., Cabot, R., Savage, M., Godfrey, H., Yan, Y., Parker, S. F., Manuel, P., Lennox , M., Mitra , T., Easun, T., Lewis , W., Blake, A., Besley, E., Yang, S., & Schroder, M. (2016). Amides Do Not Always Work: Observation of Guest Binding in an Amide-Functionalised Porous Host. Journal of the American Chemical Society, 138(45), 14828-14831. https://doi.org/10.1021/jacs.6b08059

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title = "Amides Do Not Always Work: Observation of Guest Binding in an Amide-Functionalised Porous Host",

abstract = "An amide-functionalised metal organic framework(MOF) material, MFM-136, shows a high CO2 uptake of12.6 mmol g-1 at 20 bar and 298 K. MFM-136 is the first exampleof acylamide pyrimidyl isophthalate MOF withoutopen metal sites, and thus provides a unique platform tostudy guest binding, particularly the role of free amides.Neutron diffraction reveals that, surprisingly, there is nodirect binding between the adsorbed CO2/CH4 moleculesand the pendant amide group in the pore. This observationhas been confirmed unambiguously by inelastic neutronspectroscopy. This suggests that introduction of functionalgroups solely may not necessarily induce specific guest-hostbinding in porous materials, but it is a combination of poresize, geometry, and functional group that leads to enhancedgas adsorption properties.",

author = "Oguarabau Benson and {Da Silva}, Ivan and Argent, {Stephen P.} and Rafel Cabot and Mathew Savage and Harry Godfrey and Yong Yan and Parker, {Stewart F.} and Pascal Manuel and Matthew Lennox and Tamoghna Mitra and Timothy Easun and William Lewis and Alexander Blake and Elena Besley and Sihai Yang and Martin Schroder",

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doi = "10.1021/jacs.6b08059",

language = "English",

volume = "138",

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Benson, O, Da Silva, I, Argent, SP, Cabot, R, Savage, M, Godfrey, H, Yan, Y, Parker, SF, Manuel, P, Lennox , M, Mitra , T, Easun, T, Lewis , W, Blake, A, Besley, E, Yang, S & Schroder, M 2016, 'Amides Do Not Always Work: Observation of Guest Binding in an Amide-Functionalised Porous Host', Journal of the American Chemical Society, vol. 138, no. 45, pp. 14828-14831. https://doi.org/10.1021/jacs.6b08059

TY - JOUR

T1 - Amides Do Not Always Work: Observation of Guest Binding in an Amide-Functionalised Porous Host

AU - Benson, Oguarabau

AU - Da Silva, Ivan

AU - Argent, Stephen P.

AU - Cabot, Rafel

AU - Savage, Mathew

AU - Godfrey, Harry

AU - Yan, Yong

AU - Parker, Stewart F.

AU - Manuel, Pascal

AU - Lennox , Matthew

AU - Mitra , Tamoghna

AU - Easun, Timothy

AU - Lewis , William

AU - Blake, Alexander

AU - Besley, Elena

AU - Yang, Sihai

AU - Schroder, Martin

PY - 2016/11/1

Y1 - 2016/11/1

N2 - An amide-functionalised metal organic framework(MOF) material, MFM-136, shows a high CO2 uptake of12.6 mmol g-1 at 20 bar and 298 K. MFM-136 is the first exampleof acylamide pyrimidyl isophthalate MOF withoutopen metal sites, and thus provides a unique platform tostudy guest binding, particularly the role of free amides.Neutron diffraction reveals that, surprisingly, there is nodirect binding between the adsorbed CO2/CH4 moleculesand the pendant amide group in the pore. This observationhas been confirmed unambiguously by inelastic neutronspectroscopy. This suggests that introduction of functionalgroups solely may not necessarily induce specific guest-hostbinding in porous materials, but it is a combination of poresize, geometry, and functional group that leads to enhancedgas adsorption properties.

AB - An amide-functionalised metal organic framework(MOF) material, MFM-136, shows a high CO2 uptake of12.6 mmol g-1 at 20 bar and 298 K. MFM-136 is the first exampleof acylamide pyrimidyl isophthalate MOF withoutopen metal sites, and thus provides a unique platform tostudy guest binding, particularly the role of free amides.Neutron diffraction reveals that, surprisingly, there is nodirect binding between the adsorbed CO2/CH4 moleculesand the pendant amide group in the pore. This observationhas been confirmed unambiguously by inelastic neutronspectroscopy. This suggests that introduction of functionalgroups solely may not necessarily induce specific guest-hostbinding in porous materials, but it is a combination of poresize, geometry, and functional group that leads to enhancedgas adsorption properties.

U2 - 10.1021/jacs.6b08059

DO - 10.1021/jacs.6b08059

M3 - Article

VL - 138

SP - 14828

EP - 14831

JO - American Chemical Society. Journal

JF - American Chemical Society. Journal

SN - 0002-7863

IS - 45

ER -

Amides Do Not Always Work: Observation of Guest Binding in an Amide-Functionalised Porous Host

Abstract

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Datasets

CCDC 1481609: Experimental Crystal Structure Determination

CCDC 1452775: Experimental Crystal Structure Determination

CCDC 1504702: Experimental Crystal Structure Determination

Cite this