This article describes the synthesis, characterization (¹H NMR, ¹³C NMR, FT-IR, HRMS and XRD), UV-Vis absorption and fluorescence spectra, theoretical analysis, evaluation of nonlinear optical properties (NLO), thermal analysis and determination of the hemolytic capacity of the compound (E)-N-(4-(3-(benzo[d][1,3]dioxol-5-yl)acryloyl)phenyl)quinoline-3-carboxamide (5). Radiological findings showed that compound 5 crystallized in space group Pca2₁. Furthermore, theoretical DFT studies performed with the B3LYP and M062X functionals showed good agreement with the experimental results and provided valuable information on the molecular and electronic structure, reactivity, polarizability, and kinematic stability of the compound. Besides, compound 5 did not show any hemolytic effect on human erythrocytes and exhibited strong NLO properties. The TG and DTA thermograms of quinoline–chalcone (5) revealed a multi-step thermal decomposition process with a total mass loss of 83.2%, including water content loss. The DTA curves exhibited endothermic peaks corresponding to decomposition steps, melting point, and thermochemical transition. Additionally, exothermic peaks in the DTA thermograms align with significant mass loss, confirming the compound's melting point and water content, as validated by X-ray diffraction analysis. These results contribute to the advancement of research on compounds with NLO properties and offer a promising avenue for the development of substances potentially applicable to optical devices in the biomedical field.

中文翻译：

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喹啉-1,3-苯并二氧杂环戊烯查尔酮的非线性光学和光谱特性、热分析和溶血能力评估

本文介绍了合成、表征（¹ H NMR、¹³ C NMR、FT-IR、HRMS 和 XRD）、UV-Vis 吸收和荧光光谱、理论分析、非线性光学性质（NLO）评估、热分析和测定化合物( E ) -N- (4-(3-(苯并[ d ][1,3]二氧杂环醇-5-基)丙烯酰基)苯基)喹啉-3-甲酰胺( 5 )的溶血能力。放射学结果表明，化合物5以空间群Pca 2 ₁结晶。此外，使用 B3LYP 和 M062X 泛函进行的理论 DFT 研究显示与实验结果非常吻合，并提供了有关化合物的分子和电子结构、反应性、极化性和运动稳定性的宝贵信息。此外，化合物5对人红细胞没有表现出任何溶血作用，并表现出很强的NLO特性。喹啉-查尔酮 ( 5 )的 TG 和 DTA 热分析图揭示了多步热分解过程，总质量损失为 83.2%，包括水分损失。 DTA 曲线显示出与分解步骤、熔点和热化学转变相对应的吸热峰。此外，DTA 热分析图中的放热峰与显着的质量损失一致，证实了该化合物的熔点和水含量，并通过 X 射线衍射分析进行了验证。这些结果有助于推进具有非线性光学性质的化合物的研究，并为开发可能适用于生物医学领域光学器件的物质提供了一条有前途的途径。