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https://hdl.handle.net/1822/85634
Título: | A polymorph of dipeptide halide glycyl-L-alanine hydroiodide monohydrate: crystal structure, optical second harmonic generation, piezoelectricity and pyroelectricity |
Autor(es): | Baptista, Rosa Maria Ferreira Gomes, Clara S. B. Silva, Bruna Machado Oliveira, joão Almeida, B. G. Castro, Maria Cidália Rodrigues Rodrigues, Pedro António Veiga Machado, A. V. Freitas, Ruben Brandão Rodrigues, Manuel José Lima Ferreira de Matos Gomes, Etelvina Belsley, M. |
Palavras-chave: | Glycyl-L-alanine iodide Polymorphism Crystal structure Cyclic dipeptides Optical second harmonic generation Pyroelectricity |
Data: | 12-Mai-2023 |
Editora: | Multidisciplinary Digital Publishing Institute |
Revista: | Materials |
Citação: | 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 |
Resumo(s): | 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. |
Tipo: | Artigo |
URI: | https://hdl.handle.net/1822/85634 |
DOI: | 10.3390/ma16103690 |
e-ISSN: | 1996-1944 |
Versão da editora: | https://www.mdpi.com/1996-1944/16/10/3690 |
Arbitragem científica: | yes |
Acesso: | Acesso aberto |
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 | |
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materials-16-03690.pdf | 6,13 MB | Adobe PDF | Ver/Abrir |
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