Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes
Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes
Investigation of the analyte soaking conditions on the crystalline sponge {[(ZnI2)3(tpt)2·x(solvent)]n} method using a statistical design of experiments model has provided fundamental insights into the influence of experimental variables. This approach focuses on a single analyte tested via 60 experiments (20 unique conditions) to identify the main effects for success and overall guest structure quality. This is employed as a basis for the development of a novel molecular structure grading system that enables the quantification of guest exchange quality.
crystalline sponges, metal-organic frameworks, SCXRD, single-crystal X-ray diffraction, statistical design of experiments
578-586
Carroll, Robert C.
94d92c13-aec3-4d94-a7d4-7a4477b1eb64
Coles, Simon J.
3116f58b-c30c-48cf-bdd5-397d1c1fecf8
1 July 2024
Carroll, Robert C.
94d92c13-aec3-4d94-a7d4-7a4477b1eb64
Coles, Simon J.
3116f58b-c30c-48cf-bdd5-397d1c1fecf8
Carroll, Robert C. and Coles, Simon J.
(2024)
Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.
IUCrJ, 11 (Pt 4), .
(doi:10.1107/S2052252524004871).
Abstract
Investigation of the analyte soaking conditions on the crystalline sponge {[(ZnI2)3(tpt)2·x(solvent)]n} method using a statistical design of experiments model has provided fundamental insights into the influence of experimental variables. This approach focuses on a single analyte tested via 60 experiments (20 unique conditions) to identify the main effects for success and overall guest structure quality. This is employed as a basis for the development of a novel molecular structure grading system that enables the quantification of guest exchange quality.
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Accepted/In Press date: 23 May 2024
e-pub ahead of print date: 12 June 2024
Published date: 1 July 2024
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Publisher Copyright:
© 2024 Carroll and Coles 2024.
Keywords:
crystalline sponges, metal-organic frameworks, SCXRD, single-crystal X-ray diffraction, statistical design of experiments
Identifiers
Local EPrints ID: 492856
URI: http://eprints.soton.ac.uk/id/eprint/492856
ISSN: 2052-2525
PURE UUID: d2b9d5d6-1c6b-4325-8337-c5d0d266d48f
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Date deposited: 16 Aug 2024 16:37
Last modified: 17 Aug 2024 02:07
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Author:
Robert C. Carroll
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