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Critical Influence of Water on the Polymorphism of 1,3-Dimethylurea and Other Heterogeneous Equilibria

hal.structure.identifierSciences et Méthodes Séparatives [SMS]
dc.contributor.authorBAAKLINI, Grace
hal.structure.identifierSciences et Méthodes Séparatives [SMS]
dc.contributor.authorSCHINDLER, Manon
hal.structure.identifierSciences et Méthodes Séparatives [SMS]
dc.contributor.authorYUAN, Lina
hal.structure.identifierSciences et Méthodes Séparatives [SMS]
dc.contributor.authorJORES, Clément
hal.structure.identifierSciences et Méthodes Séparatives [SMS]
dc.contributor.authorSANSELME, Morgane
hal.structure.identifierSciences et Méthodes Séparatives [SMS]
dc.contributor.authorCOUVRAT, Nicolas
hal.structure.identifierSciences et Méthodes Séparatives [SMS]
dc.contributor.authorCLEVERS, Simon
hal.structure.identifierLaboratoire Ondes et Matière d'Aquitaine [LOMA]
dc.contributor.authorNÉGRIER, Philippe
hal.structure.identifierLaboratoire Ondes et Matière d'Aquitaine [LOMA]
dc.contributor.authorMONDIEIG, Denise
hal.structure.identifierSciences et Méthodes Séparatives [SMS]
dc.contributor.authorDUPRAY, Valérie
hal.structure.identifierSciences et Méthodes Séparatives [SMS]
dc.contributor.authorCARTIGNY, Yohann
hal.structure.identifierSciences et Méthodes Séparatives [SMS]
dc.contributor.authorGBABODE, Gabin
hal.structure.identifierSciences et Méthodes Séparatives [SMS]
dc.contributor.authorCOQUEREL, Gerard
dc.date.issued2023
dc.identifier.issn1420-3049
dc.description.abstractEnIt 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.isoen
dc.publisherMDPI
dc.rights.urihttp://hal.archives-ouvertes.fr/licences/copyright/
dc.subject.enphase diagrams
dc.subject.enpolymorphism
dc.subject.enhydrate
dc.subject.enphase transitions
dc.subject.encrystal structure determination
dc.title.enCritical Influence of Water on the Polymorphism of 1,3-Dimethylurea and Other Heterogeneous Equilibria
dc.typeArticle de revue
dc.identifier.doi10.3390/molecules28207061
dc.subject.halChimie/Matériaux
dc.subject.halChimie/Cristallographie
bordeaux.journalMolecules
bordeaux.page7061
bordeaux.volume28
bordeaux.issue20
bordeaux.peerReviewedoui
hal.identifierhal-04240331
hal.version1
hal.popularnon
hal.audienceInternationale
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-04240331v1
bordeaux.COinSctx_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


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