A novel organic butane 1,4-bis(ammonium) hydroxy(diphenyl)acetate hydrate (BDABA) crystal was grown using a slow evaporation method. Lattice parameters of the grown BDABA crystal were confirmed by SCXRD analysis. FTIR and FT-Raman spectroscopy were correlated and the presence of O–H, N–H, C–H, C = O, C–O, C–C, and C = C vibrations was confirmed. The bandgap value (5.73 eV) determined using UV–Vis spectroscopy indicates that the grown crystal is a highly insulating material. Emission peak was observed in the photoluminescence spectrum at 284 nm and the CCT value calculated from the CIE diagram is equal to 2936 K, which signifies warm white light. The TG–DTA analysis reveals a two-stage weight loss process, with an initial slow loss at 192.48 °C attributed to water and NH3 removal, followed by a significant mass reduction indicating major decomposition. The absorption coefficient (n2), refractive index (<InlineEquation ID="IEq1"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="10854_2025_15140_Article_IEq1.gif" Format="GIF" Height="17" Rendition="HTML" Resolution="72" Type="Linedraw" Width="15" /> </InlineMediaObject> <EquationSource Format="TEX">$\beta$</EquationSource> <EquationSource Format="MATHML"><math> <mi>β</mi> </math></EquationSource> </InlineEquation>) and third-order nonlinear susceptibility (<InlineEquation ID="IEq2"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="10854_2025_15140_Article_IEq2.gif" Format="GIF" Height="20" Rendition="HTML" Resolution="72" Type="Linedraw" Width="28" /> </InlineMediaObject> <EquationSource Format="TEX">${\chi }^{\left(3\right)}$</EquationSource> <EquationSource Format="MATHML"><math> <msup> <mrow> <mi>χ</mi> </mrow> <mfenced close=")" open="("> <mn>3</mn> </mfenced> </msup> </math></EquationSource> </InlineEquation>=3.01 × 10−14 esu) of the BDABA crystal have been calculated using Z-scan measurements at 632.8 Å. From the investigated characteristics of the crystal, it can be proven that the crystal is suitable for NLO and OLED applications.

Growth, structural, optical, and thermal analyses of supramolecular butane 1,4-bis(ammonium) hydroxy(diphenyl)acetate hydrate (BDABA) crystal for third-order nonlinear applications

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2025年6月26日

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D. Dulasimathi,
J. Christina Rhoda,
M. Prabhaharan,
C. Karnan

摘要

A novel organic butane 1,4-bis(ammonium) hydroxy(diphenyl)acetate hydrate (BDABA) crystal was grown using a slow evaporation method. Lattice parameters of the grown BDABA crystal were confirmed by SCXRD analysis. FTIR and FT-Raman spectroscopy were correlated and the presence of O–H, N–H, C–H, C = O, C–O, C–C, and C = C vibrations was confirmed. The bandgap value (5.73 eV) determined using UV–Vis spectroscopy indicates that the grown crystal is a highly insulating material. Emission peak was observed in the photoluminescence spectrum at 284 nm and the CCT value calculated from the CIE diagram is equal to 2936 K, which signifies warm white light. The TG–DTA analysis reveals a two-stage weight loss process, with an initial slow loss at 192.48 °C attributed to water and NH₃ removal, followed by a significant mass reduction indicating major decomposition. The absorption coefficient (n₂), refractive index ( $\beta$ $β$ ) and third-order nonlinear susceptibility ( ${\chi }^{\left(3\right)}$ $χ^{(3)}$ =3.01 × 10⁻¹⁴ esu) of the BDABA crystal have been calculated using Z-scan measurements at 632.8 Å. From the investigated characteristics of the crystal, it can be proven that the crystal is suitable for NLO and OLED applications.