| 尿丁啶二酮形成反应的量子化学研究 |
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| 引用本文： | 洪三国.尿丁啶二酮形成反应的量子化学研究[J].江西师范大学学报(自然科学版),1993,17(3):184-186. |
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| 作者姓名： | 洪三国 |
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| 作者单位： | 江西师范大学化学系 |
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| 摘 要： | 本文用 AM1方法研究了尿丁碇二酮形成反应.研究结果表明,由异腈酸脂二聚生成尿丁啶二酮是分两步完成的自由基反应;速控步的活化能为153.695 kJ/mol.
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| 关 键 词： | 尿丁啶二酮 AM1法 过渡态 量子化学 |
Quantum Chemical Study of the Formation Reaction of Uretidinedione |
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| Hong Sanguo.Quantum Chemical Study of the Formation Reaction of Uretidinedione[J].Journal of Jiangxi Normal University (Natural Sciences Edition),1993,17(3):184-186. |
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| Authors: | Hong Sanguo |
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| Institution: | Dept.of Chem. |
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| Abstract: | UHP AMl method is used to study the formation reaction of uretidinedione The results obtained show that the dipolymerization of isocyanic acid into uretidinedione is a radical reaction which takes place according to two steps,and the activation energy of the rate-determining step(the first step)is equal to 153.696kJ/mol. |
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| Keywords: | uretidinedione AM1 method transition state |
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