Hydrolysis of Polyphenyl-1,2,4-triazine and Polyphenyl-1,3,5-triazine in High Temperature Water |
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作者姓名: | 易孝兵 吴国是 卢凤才 |
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作者单位: | YI Xiaobing,WU Guoshi **,LU Fengcai Department of Chemistry,Tsinghua University,Beijing 100084,China; Institute of Chemistry,Academia Sinica,Beijing 100080,China |
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基金项目: | the National Natural Science Foundationof China(No.2 97730 2 4 ) |
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摘 要: | IntroductionThe evolution of contemporary science andtechnology has generated much need for polymericmaterials with good stabilities in high temperaturewater,where polymeric materials are used ascoatings,insulating materials,functional orstructural materi…
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Hydrolysis of Polyphenyl-1,2,4-triazine and Polyphenyl-1,3,5-triazine in High Temperature Water |
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Abstract: | The hydrolysis of polyphenyl-1,2,4-triazine (As-PPT) and polyphenyl-1,3,5-triazine (S-PPT) in water at 250℃/ 3.97 MPa under nitrogen atmosphere has been investigated experimentally and theoretically. The hydrolysis reactions were monitored by Fourier transform-infrared (FT-IR) and ultra-violet-visible (UV-Vis) spectra. The results show that S-PPT is remarkably stable whereas As-PPT is easily hydrolyzed in water at 250℃. The identifications using FT-IR, high performance liquid chromatography (HPLC), nuclear magnetic resonance (1H-NMR) and mass spectrography (MS) confirm that terephthalic acid is the major hydrolysate of As-PPT. Two model compounds, 2,5,6-triphenyltriazine and 2,4,6-triphenyltriazine, were designed to simulate the local electronic structures of As-PPT and S-PPT, respectively. The electronic structures were given by ab initio calculations at the RHF/4-31G level. The calculational results indicate that the triazine rings are the hydrolytically active parts and the 1,2,4-triazine ring is easier to hydrolyze in comparison with the 1,3,5-triazine ring under the same condition. |
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Keywords: | hydrolysis at high temperature polyphenyl 1 2 4 triazine polyphenyl 1 3 5 triazine aromaticity index ab initio calculation |
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