• 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >The role of triplet state keto - Enol tautomerism in the photodeamination of metamitron
【24h】

The role of triplet state keto - Enol tautomerism in the photodeamination of metamitron

机译：三重态酮-烯醇互变异构体在间质子光脱氨中的作用

获取原文
获取原文并翻译 | 示例
           
页面导航
  • 摘要
  • 著录项
  • 相似文献
  • 相关主题

摘要

Substituted 4-amino-1,2,4-triazin-5-ones undergo photodeamination through cleavage of the N - NH_2 bond in the presence of oxygen and water. To elucidate the mechanism of this reaction, we investigated the photolysis of metamitron (4-amino-6-phenyl-3-methyl-1,2,4-triazin-5-one) by nanosecond laser flash photolysis, steady-state irradiation, and ab initio calculations. Upon pulsed laser excitation of deoxygenated aqueous metamitron, two transient species are clearly detected. The predictions of ab initio results are consistent with experimental results: (i) it is proposed here that the transient species are, respectively, the keto and diradical forms of the metamitron keto - enol tautomerism in the triplet state, and (ii) in water, the activation free energy barrier of enolization is drastically decreased. Thus, the formation of the diradical triplet is enabled in aqueous solvent. A detailed analysis of the intermediate structures that lead to the final products (HNO_2 and deaminometamitron) is provided. (Figure presented)
机译：取代的4-氨基-1,2,4-三嗪-5-酮在氧和水的存在下通过裂解N-NH_2键进行光脱氨作用。为了阐明该反应的机理，我们研究了纳米酮（4-氨基-6-苯基-3-甲基-1,2,4-三嗪-5-酮）通过纳秒激光闪光光解，稳态辐照，和从头算起。在脉冲激光激发脱氧的水间铁后，可以清楚地检测到两个瞬态物质。从头算结果的预测与实验结果一致：（i）此处提出的瞬态物种分别是三重态的间位酮酮-烯醇互变异构的酮基和双自由基形式，以及（ii）在水中，烯醇化的无活化能垒大大降低。因此，在水性溶剂中能够形成双自由基三重态。提供了对导致最终产物（HNO_2和脱氨基metamitron）的中间结构的详细分析。 （图示）

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱：kefu@zhangqiaokeyan.com

京公网安备：11010802029741号 ICP备案号：京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有

  • 客服微信

  • 服务号