A systematic study of the interplay between guest molecule structure and intermolecular interactions in Crystalline Sponges
A systematic study of the interplay between guest molecule structure and intermolecular interactions in Crystalline Sponges
Utilization of the crystalline sponge {[(ZnI2)3(tpt)2·x(solvent)] n } method has enabled characterization of a novel family of synthetic organic oils. The systematic structural differences and diversity of functional groups offered by 13 related molecular adsorbates provide a detailed quantitative understanding of the relationship between the guest structure, its conformation, and the type of intermolecular interactions adopted with neighbouring guests and the host framework. This analysis is extended to assess the connection of these factors to the resulting quality indicators for a particular molecular structure elucidation.
MOFs, crystalline sponge, intermolecular interactions, metal-organic frameworks, single-crystal X-ray diffraction, systematic studies
497-508
Coles, Simon J.
3116f58b-c30c-48cf-bdd5-397d1c1fecf8
Carroll, Robert Christopher
94d92c13-aec3-4d94-a7d4-7a4477b1eb64
Harrowven, David C.
bddcfab6-dbde-49df-aec2-42abbcf5d10b
Pearce, James
c8389bad-182d-4ac6-8af0-52fb40b9bb95
1 July 2023
Coles, Simon J.
3116f58b-c30c-48cf-bdd5-397d1c1fecf8
Carroll, Robert Christopher
94d92c13-aec3-4d94-a7d4-7a4477b1eb64
Harrowven, David C.
bddcfab6-dbde-49df-aec2-42abbcf5d10b
Pearce, James
c8389bad-182d-4ac6-8af0-52fb40b9bb95
Coles, Simon J., Carroll, Robert Christopher, Harrowven, David C. and Pearce, James
(2023)
A systematic study of the interplay between guest molecule structure and intermolecular interactions in Crystalline Sponges.
IUCrJ, 10 (4), .
(doi:10.1107/S2052252523005146).
Abstract
Utilization of the crystalline sponge {[(ZnI2)3(tpt)2·x(solvent)] n } method has enabled characterization of a novel family of synthetic organic oils. The systematic structural differences and diversity of functional groups offered by 13 related molecular adsorbates provide a detailed quantitative understanding of the relationship between the guest structure, its conformation, and the type of intermolecular interactions adopted with neighbouring guests and the host framework. This analysis is extended to assess the connection of these factors to the resulting quality indicators for a particular molecular structure elucidation.
Text
Biaryl Paper Draft IUCrJ Template - Final Revised
- Accepted Manuscript
More information
Accepted/In Press date: 8 June 2023
Published date: 1 July 2023
Additional Information:
Funding Information:
We thank the Engineering and Physical Sciences Research Council for funding the UK National Crystallography Service (grant No. EP/W02098X/1), which provided the experimental facilities for these studies, and the Photo-Electro Programme (grant Nos. EP/P013341/1; EP/K039466/1) which funded the work of JP.
Publisher Copyright:
© 2023 International Union of Crystallography. All rights reserved.
Keywords:
MOFs, crystalline sponge, intermolecular interactions, metal-organic frameworks, single-crystal X-ray diffraction, systematic studies
Identifiers
Local EPrints ID: 481242
URI: http://eprints.soton.ac.uk/id/eprint/481242
ISSN: 2052-2525
PURE UUID: 0cd3f608-d58b-45da-b3e6-1d9e4e01517f
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Date deposited: 21 Aug 2023 16:40
Last modified: 18 Mar 2024 02:40
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Author:
Robert Christopher Carroll
Author:
James Pearce
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