Critical Influence of Water on the Polymorphism of 1,3-Dimethylurea and Other Heterogeneous Equilibria
hal.structure.identifier | Sciences et Méthodes Séparatives [SMS] | |
dc.contributor.author | BAAKLINI, Grace | |
hal.structure.identifier | Sciences et Méthodes Séparatives [SMS] | |
dc.contributor.author | SCHINDLER, Manon | |
hal.structure.identifier | Sciences et Méthodes Séparatives [SMS] | |
dc.contributor.author | YUAN, Lina | |
hal.structure.identifier | Sciences et Méthodes Séparatives [SMS] | |
dc.contributor.author | JORES, Clément | |
hal.structure.identifier | Sciences et Méthodes Séparatives [SMS] | |
dc.contributor.author | SANSELME, Morgane | |
hal.structure.identifier | Sciences et Méthodes Séparatives [SMS] | |
dc.contributor.author | COUVRAT, Nicolas | |
hal.structure.identifier | Sciences et Méthodes Séparatives [SMS] | |
dc.contributor.author | CLEVERS, Simon | |
hal.structure.identifier | Laboratoire Ondes et Matière d'Aquitaine [LOMA] | |
dc.contributor.author | NÉGRIER, Philippe | |
hal.structure.identifier | Laboratoire Ondes et Matière d'Aquitaine [LOMA] | |
dc.contributor.author | MONDIEIG, Denise | |
hal.structure.identifier | Sciences et Méthodes Séparatives [SMS] | |
dc.contributor.author | DUPRAY, Valérie | |
hal.structure.identifier | Sciences et Méthodes Séparatives [SMS] | |
dc.contributor.author | CARTIGNY, Yohann | |
hal.structure.identifier | Sciences et Méthodes Séparatives [SMS] | |
dc.contributor.author | GBABODE, Gabin | |
hal.structure.identifier | Sciences et Méthodes Séparatives [SMS] | |
dc.contributor.author | COQUEREL, Gerard | |
dc.date.issued | 2023 | |
dc.identifier.issn | 1420-3049 | |
dc.description.abstractEn | It is shown that the presence of hundreds of ppm of water in 1,3-dimethylurea (DMU) powder led to the large depression of the transition temperature between the two enantiotropically related polymorphic forms of DMU (Form II → Form I) from 58 °C to 25 °C, thus explaining the reported discrepancies on this temperature of transition. Importantly, this case study shows that thermodynamics (through the construction of the DMU–water temperature-composition phase diagram) rather than kinetics is responsible for this significant temperature drop. Furthermore, this work also highlights the existence of a monohydrate of DMU that has never been reported before with a non-congruent fusion at 8 °C. Interestingly, its crystal structure, determined from X-ray powder diffraction data at sub-ambient temperature, consists of a DMU–water hydrogen bonded network totally excluding homo-molecular hydrogen bonds (whereas present in forms I and II of DMU). | |
dc.language.iso | en | |
dc.publisher | MDPI | |
dc.rights.uri | http://hal.archives-ouvertes.fr/licences/copyright/ | |
dc.subject.en | phase diagrams | |
dc.subject.en | polymorphism | |
dc.subject.en | hydrate | |
dc.subject.en | phase transitions | |
dc.subject.en | crystal structure determination | |
dc.title.en | Critical Influence of Water on the Polymorphism of 1,3-Dimethylurea and Other Heterogeneous Equilibria | |
dc.type | Article de revue | |
dc.identifier.doi | 10.3390/molecules28207061 | |
dc.subject.hal | Chimie/Matériaux | |
dc.subject.hal | Chimie/Cristallographie | |
bordeaux.journal | Molecules | |
bordeaux.page | 7061 | |
bordeaux.volume | 28 | |
bordeaux.issue | 20 | |
bordeaux.peerReviewed | oui | |
hal.identifier | hal-04240331 | |
hal.version | 1 | |
hal.popular | non | |
hal.audience | Internationale | |
hal.origin.link | https://hal.archives-ouvertes.fr//hal-04240331v1 | |
bordeaux.COinS | ctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=Molecules&rft.date=2023&rft.volume=28&rft.issue=20&rft.spage=7061&rft.epage=7061&rft.eissn=1420-3049&rft.issn=1420-3049&rft.au=BAAKLINI,%20Grace&SCHINDLER,%20Manon&YUAN,%20Lina&JORES,%20Cl%C3%A9ment&SANSELME,%20Morgane&rft.genre=article |
Files in this item
Files | Size | Format | View |
---|---|---|---|
There are no files associated with this item. |