A Polymorph of Dipeptide Halide Glycyl-L-Alanine Iodide Hy-Drate: Crystal Structure, Optical Second Harmonic Generation and Pyroelectricity

Rosa M. F. Baptista; Clara S. B. Gomes; Bruna Silva; João Oliveira; Bernardo Almeida; Cidália Castro; Pedro V. Rodrigues; Ana Machado; Ruben B. Freitas; Manuel R. L. F. Rodrigues; Etelvina De Matos Gomes; Michael Belsley

doi:10.20944/preprints202303.0206.v1

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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.; de Matos Gomes, E.; Belsley, M. A Polymorph of Dipeptide Halide Glycyl-L-Alanine Hydroiodide Monohydrate: Crystal Structure, Optical Second Harmonic Generation, Piezoelectricity and Pyroelectricity. Materials 2023, 16, 3690. 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.; de Matos Gomes, E.; Belsley, M. A Polymorph of Dipeptide Halide Glycyl-L-Alanine Hydroiodide Monohydrate: Crystal Structure, Optical Second Harmonic Generation, Piezoelectricity and Pyroelectricity. Materials 2023, 16, 3690.

Abstract

The crystal structure of a polymorph of Glycyl-L-alanine HI.H2O was synthesized from chiral cyclic Glycyl-L-alanine dipeptide, known to show molecular flexibility in different environments. The space group is polar (P21) and therefore pyroelectricity and optical second harmonic generation properties are allowed by symmetry. We report a pyroelectric coefficient as high as 45 µC/m2K occurring at 345 K, one order of magnitude smaller than the semi-organic ferroelectric Triglycine Sulphate (TGS) crystal. Furthermore, the 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.

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A Polymorph of Dipeptide Halide Glycyl-L-Alanine Iodide Hy-Drate: Crystal Structure, Optical Second Harmonic Generation and Pyroelectricity

Abstract

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Subject

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