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Synthesis and Structure Optimization of Schiff Base Derived from p-Chlorobenzaldehyde and p-Aminobenzoic Acid by Rapid Efficient Gas Impacting Reaction

机译:对氯苯甲醛和对氨基苯甲酸衍生的席夫碱的快速高效气体冲击反应合成及结构优化

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摘要

To confirm the advantage for synthesis of Schiff base using jet milling, Schiff base derived fromp-chlorobenzaldehyde and p-aminobenzoic acid was synthesized using jet milling. The ~1H NMR and FTIR technology confirmed the structure of Schiff base. Optimized geometrical structure showed that the HOMO and LUMO of Schiff base were -9.16 eV and -1.256 eV, respectively. And that the HOMO of Schiff base focused on benzene, in contrast, the LUMO of Schiff base was dispersed. The bond length and bond angle between atoms at imine group was smaller than that of other group.
机译:为了证实使用喷射研磨合成席夫碱的优势,利用喷射研磨合成了源自对氯苯甲醛和对氨基苯甲酸的席夫碱。 〜1H NMR和FTIR技术证实了席夫碱的结构。优化的几何结构表明,席夫碱的HOMO和LUMO分别为-9.16 eV和-1.256 eV。而席夫碱的HOMO集中在苯上,相反,席夫碱的LUMO分散了。亚胺基上原子间的键长和键角小于其他基团。

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