Utilize este identificador para referenciar este registo:
https://hdl.handle.net/1822/85634
Registo completo
Campo DC | Valor | Idioma |
---|---|---|
dc.contributor.author | Baptista, Rosa Maria Ferreira | por |
dc.contributor.author | Gomes, Clara S. B. | por |
dc.contributor.author | Silva, Bruna Machado | por |
dc.contributor.author | Oliveira, joão | por |
dc.contributor.author | Almeida, B. G. | por |
dc.contributor.author | Castro, Maria Cidália Rodrigues | por |
dc.contributor.author | Rodrigues, Pedro António Veiga | por |
dc.contributor.author | Machado, A. V. | por |
dc.contributor.author | Freitas, Ruben Brandão | por |
dc.contributor.author | Rodrigues, Manuel José Lima Ferreira | por |
dc.contributor.author | de Matos Gomes, Etelvina | por |
dc.contributor.author | Belsley, M. | por |
dc.date.accessioned | 2023-07-24T11:23:40Z | - |
dc.date.available | 2023-07-24T11:23:40Z | - |
dc.date.issued | 2023-05-12 | - |
dc.identifier.citation | Baptista, R.M.F.; Gomes, C.S.B.; Silva, B.; Oliveira, J.; Almeida, B.; Castro, C.; Rodrigues, P.V.; Machado, A.; Freitas, R.B.; Rodrigues, M.J.L.F.; et al. A Polymorph of Dipeptide Halide Glycyl-L-Alanine Hydroiodide Monohydrate: Crystal Structure, Optical Second Harmonic Generation, Piezoelectricity and Pyroelectricity. Materials 2023, 16, 3690. https://doi.org/10.3390/ma16103690 | por |
dc.identifier.uri | https://hdl.handle.net/1822/85634 | - |
dc.description.abstract | A polymorph of glycyl-L-alanine HI.H2O is synthesized from chiral cyclo-glycyl-L-alanine dipeptide. The dipeptide is known to show molecular flexibility in different environments, which leads to polymorphism. The crystal structure of the glycyl-L-alanine HI.H2O polymorph is determined at room temperature and indicates that the space group is polar (P21), with two molecules per unit cell and unit cell parameters a = 7.747 Å, b = 6.435 Å, c = 10.941 Å, α = 90◦, β = 107.53(3)◦,γ = 90◦ and V = 520.1(7) Å3. Crystallization in the polar point group 2, with one polar axis parallel to the b axis, allows pyroelectricity and optical second harmonic generation. Thermal melting of the glycyl-L-alanine HI.H2O polymorph starts at 533 K, close to the melting temperature reported for cyclo-glycyl-L-alanine (531 K) and 32 K lower than that reported for linear glycyl-L-alanine dipeptide (563 K), suggesting that although the dipeptide, when crystallized in the polymorphic form, is not anymore in its cyclic form, it keeps a memory of its initial closed chain and therefore shows a thermal memory effect. Here, we report a pyroelectric coefficient as high as 45 µC/m2K occurring at 345 K, one order of magnitude smaller than that of semi-organic ferroelectric triglycine sulphate (TGS) crystal. Moreover, the glycyl-L-alanine HI.H2O polymorph displays a nonlinear optical effective coefficient of 0.14 pm/V, around 14 times smaller than the value from a phase-matched inorganic barium borate (BBO) single crystal. The new polymorph displays an effective piezoelectric coefficient equal to deff = 280 pCN−1, when embedded into electrospun polymer fibers, indicating its suitability as an active system for energy harvesting. | por |
dc.description.sponsorship | This research was funded by Fundação para a Ciência e Tecnologia through FEDER (European Fund for Regional Development)-COMPETE-QREN-EU (ref. UID/FIS/04650/2013 and UID/FIS/04650/2019) and E-Field—“Electric-Field Engineered Lattice Distortions (E-FiELD) for optoelectronic devices”, ref. PTDC/NAN-MAT/0098/2020. C.S.B.G. acknowledges funding from Fundação para a Ciência e Tecnologia FCT/MCTES through projects UIDB/50006/2020, UIDP/50006/2020 and LA/P/0008/2020 of the Associate Laboratory for Green Chemistry—LAQV, UIDB/04378/2020, UIDP/04378/2020 and LA/P/0140/2020 of UCIBIO and Associate Laboratory i4HB, respectively. | por |
dc.description.sponsorship | We acknowledge national funds (OE), through FCT − Fundação para a Ciência e a Tecnologia, I.P., in the scope of the framework contract foreseen in the numbers 4, 5 and 6 of article 23 of the Decree-Law 57/2016, of August 29, changed by Law 57/2017, of July 19. | por |
dc.language.iso | eng | por |
dc.publisher | Multidisciplinary Digital Publishing Institute | por |
dc.relation | info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UID%2FFIS%2F04650%2F2013/PT | por |
dc.relation | info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UID%2FFIS%2F04650%2F2019/PT | por |
dc.relation | info:eu-repo/grantAgreement/FCT/3599-PPCDT/PTDC%2FNAN-MAT%2F0098%2F2020/PT | por |
dc.relation | info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDB%2F50006%2F2020/PT | por |
dc.relation | info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDP%2F50006%2F2020/PT | por |
dc.relation | info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDB%2F04378%2F2020/PT | por |
dc.relation | info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDP%2F04378%2F2020/PT | por |
dc.rights | openAccess | por |
dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | por |
dc.subject | Glycyl-L-alanine iodide | por |
dc.subject | Polymorphism | por |
dc.subject | Crystal structure | por |
dc.subject | Cyclic dipeptides | por |
dc.subject | Optical second harmonic generation | por |
dc.subject | Pyroelectricity | por |
dc.title | A polymorph of dipeptide halide glycyl-L-alanine hydroiodide monohydrate: crystal structure, optical second harmonic generation, piezoelectricity and pyroelectricity | por |
dc.type | article | por |
dc.peerreviewed | yes | por |
dc.relation.publisherversion | https://www.mdpi.com/1996-1944/16/10/3690 | por |
oaire.citationStartPage | 1 | por |
oaire.citationEndPage | 20 | por |
oaire.citationIssue | 10 | por |
oaire.citationVolume | 16 | por |
dc.date.updated | 2023-05-26T13:21:42Z | - |
dc.identifier.eissn | 1996-1944 | - |
dc.identifier.doi | 10.3390/ma16103690 | por |
sdum.journal | Materials | por |
oaire.version | VoR | por |
Aparece nas coleções: | PHYSICS OF QUANTUM MATERIALS AND BIONANOSTRUCTURES (2018 - ...) IPC - Artigos em revistas científicas internacionais com arbitragem |
Ficheiros deste registo:
Ficheiro | Descrição | Tamanho | Formato | |
---|---|---|---|---|
materials-16-03690.pdf | 6,13 MB | Adobe PDF | Ver/Abrir |
Este trabalho está licenciado sob uma Licença Creative Commons