Please use this identifier to cite or link to this item: https://hdl.handle.net/10316/99947
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dc.contributor.authorNogueira, Bernardo Albuquerque-
dc.contributor.authorOgruc Ildiz, Gulce-
dc.contributor.authorHenriques, Marta S. C.-
dc.contributor.authorPaixão, José António de Carvalho-
dc.contributor.authorFausto, Rui-
dc.date.accessioned2022-04-26T09:37:03Z-
dc.date.available2022-04-26T09:37:03Z-
dc.date.issued2017-07-13-
dc.identifier.issn0022-2860pt
dc.identifier.urihttps://hdl.handle.net/10316/99947-
dc.description.abstractIn a previous study [Nogueira, B. A.; Ildiz, G. O.; Canotilho, J.; Eus ebio, M. E. S.; Fausto, R. J. Phys. Chem. A, 2014, 118, 5994e6008], two different polymorphs of 1-methylhydantoin (1-MH, C4H6N2O2) were identified using infrared spectroscopy, differential scanning calorimetry and polarized-light thermal microscopy. Unfortunately, at that time it was not possible to structurally characterize in detail the second polymorph (polymorph II) of the compound, due to lack of suitable crystals for X-ray diffraction structure determination. In this article, a throughout investigation of the polymorphism of 1-MH is presented. Screening for polymorphs was performed by recrystallization from different solvents, and the structure of polymorph II was determined for the first time by single crystal X-ray diffraction. The spectroscopic characterization of this polymorph was also undertaken, by Raman spectroscopy, which was also used to follow the phase transition between the two polymorphs (the well-known polymorph I, and the newly described polymorph II), showing that even though their structures are significantly distinct, the transition is a non-destructive one.pt
dc.language.isoengpt
dc.publisherElsevierpt
dc.rightsopenAccesspt
dc.subject1-Methylhydantoinpt
dc.subjectPolymorphismpt
dc.subjectRaman spectroscopypt
dc.subjectX-ray diffractionpt
dc.titleStructural and spectroscopic characterization of the second polymorph of 1-methylhydantoinpt
dc.typearticle-
degois.publication.firstPage111pt
degois.publication.lastPage118pt
degois.publication.issue1148pt
degois.publication.titleJournal of Molecular Structurept
dc.peerreviewedyespt
dc.identifier.doi10.1016/j.molstruc.2017.07.028pt
dc.date.embargo2017-07-13*
uc.date.periodoEmbargo0pt
item.openairetypearticle-
item.languageiso639-1en-
item.openairecristypehttp://purl.org/coar/resource_type/c_18cf-
item.cerifentitytypePublications-
item.grantfulltextopen-
item.fulltextCom Texto completo-
crisitem.author.researchunitFaculty of Sciences and Technology-
crisitem.author.researchunitCQC - Coimbra Chemistry Centre-
crisitem.author.researchunitCFisUC – Center for Physics of the University of Coimbra-
crisitem.author.researchunitCQC - Coimbra Chemistry Centre-
crisitem.author.parentresearchunitUniversity of Coimbra-
crisitem.author.parentresearchunitFaculty of Sciences and Technology-
crisitem.author.parentresearchunitFaculty of Sciences and Technology-
crisitem.author.orcid0000-0002-1756-377X-
crisitem.author.orcid0000-0002-7827-5050-
crisitem.author.orcid0000-0003-4634-7395-
crisitem.author.orcid0000-0002-8264-6854-
Appears in Collections:I&D CQC - Artigos em Revistas Internacionais
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