• 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>Chemistry: A European journal >Photochemistry and reactivity of the phenyl radical-water system: A matrix isolation and computational study
【24h】

Photochemistry and reactivity of the phenyl radical-water system: A matrix isolation and computational study

机译：苯基自由基-水体系的光化学和反应性：基质分离和计算研究

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

The reaction of the phenyl radical 1 with water has been investigated by using matrix isolation spectroscopy and quantum chemical calculations. The primary thermal product of the reaction between 1 and water is a weakly bound complex stabilized by an OH?π interaction. This complex is photolabile, and visible-light irradiation (λ > 420 nm) results in hydrogen atom transfer from water to radical 1 and the formation of a highly labile complex between benzene and the OH radical. This complex is stable under the conditions of matrix isolation, however, continuous irradiation with λ>420nm light results in the complete destruction of the aromatic system and formation of an acylic unsaturated ketene. The mechanisms of all reaction steps are discussed in the light of ab initio and DFT calculations.
机译：苯基自由基1与水的反应已通过使用基质分离光谱法和量子化学计算进行了研究。 1与水之间反应的主要热产物是通过OH？π相互作用稳定的弱结合配合物。该络合物是光不稳定的，可见光照射（λ> 420 nm）导致氢原子从水转移到自由基1并在苯和OH自由基之间形成高度不稳定的络合物。该络合物在基质分离的条件下是稳定的，但是，用λ> 420nm的光连续照射会导致芳族体系的完全破坏和酰基不饱和烯酮的形成。根据从头算和DFT计算讨论了所有反应步骤的机理。

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