Molecular Structure and Properties of a Novel Acylhydrazone (C14H14O6N4)·HCON(CH3)2·2H2O |
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Authors: | CHEN Feng-ying WU Wang-ting LI Heng-xin HE Shui-yang WEN Zhen-yi LI Jia-xing |
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Institution: | 1. Shaanxi Key Laboratory of Physico-Inorganic Chemistry, College of Chemistry & Materials Science, Northwest University, Xi’an 710069, P. R. China;
2. Department of Chemistry & Chemical Engineering, Shangluo University, Shangluo 726000, P. R. China;
3. Capital Museum, Beijing 100045, P. R. China |
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Abstract: | N-(Propionic acid)] terephthalal acyl dihydrazone(H4L) was synthesized and characterized by element analysis, IR, 1H NMR and MS. The theoretical studies on H4L were carried out at HF/6-31+G(d) and B3LYP/ 6-31+G(d) levels. The main decomposition stage of it was studied with IR track. The kinetic parametersthe apparent activation energy(Ea) and pre-exponential constant(A) of the first and second stages of decomposition reaction] were obtained by Kissinger and Ozawa’s methods. Furthermore, the antimicrobial activity of H4L against wheat rust was investigated by spore sprout method. |
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Keywords: | Crystal structure Quantum chemistry Antimicrobial activity |
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