Controlling desolvation through polymer-assisted grinding
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Controlling desolvation through polymer-assisted grinding. / Terban, Maxwell W.; Madhau, Leillah; Cruz-Cabeza, Aurora J.; Okeyo, Peter O.; Etter, Martin; Schulz, Armin; Rantanen, Jukka; Dinnebier, Robert E.; Billinge, Simon J. L.; Moneghini, Mariarosa; Hasa, Dritan.
In: CrystEngComm, Vol. 24, No. 12, 2022, p. 2305-2313.Research output: Contribution to journal › Journal article › Research › peer-review
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TY - JOUR
T1 - Controlling desolvation through polymer-assisted grinding
AU - Terban, Maxwell W.
AU - Madhau, Leillah
AU - Cruz-Cabeza, Aurora J.
AU - Okeyo, Peter O.
AU - Etter, Martin
AU - Schulz, Armin
AU - Rantanen, Jukka
AU - Dinnebier, Robert E.
AU - Billinge, Simon J. L.
AU - Moneghini, Mariarosa
AU - Hasa, Dritan
PY - 2022
Y1 - 2022
N2 - We demonstrate the ability to controllably desolvate a crystal-solvate system in a step-wise fashion through polymer-assisted grinding by varying the type and proportion of polymer agent used. A plausible mechanistic explanation is proposed based on a combination of experimental evidence and computational analysis. Specifically, Raman spectroscopy, total scattering pair distribution function analysis and computed reaction energies suggest that the desolvation process is associated with preferred interactions between the solvent molecules and specific polymers. This approach could potentially be extended to any type of material, including heat-sensitive materials, where classical desolvation by thermal processes is not possible, and provides an additional route for formulation processing.
AB - We demonstrate the ability to controllably desolvate a crystal-solvate system in a step-wise fashion through polymer-assisted grinding by varying the type and proportion of polymer agent used. A plausible mechanistic explanation is proposed based on a combination of experimental evidence and computational analysis. Specifically, Raman spectroscopy, total scattering pair distribution function analysis and computed reaction energies suggest that the desolvation process is associated with preferred interactions between the solvent molecules and specific polymers. This approach could potentially be extended to any type of material, including heat-sensitive materials, where classical desolvation by thermal processes is not possible, and provides an additional route for formulation processing.
KW - MECHANOCHEMISTRY
KW - DEHYDRATION
KW - POLYMORPH
KW - WATER
KW - REFINEMENT
KW - SORPTION
U2 - 10.1039/d2ce00162d
DO - 10.1039/d2ce00162d
M3 - Journal article
VL - 24
SP - 2305
EP - 2313
JO - CrystEngComm
JF - CrystEngComm
SN - 1466-8033
IS - 12
ER -
ID: 302450702