...
  • 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 >Electronic Rearrangements and Angular Momentum Couplings in Quantum State-to-State Channels of Prototype Oxidation Processes
【24h】

Electronic Rearrangements and Angular Momentum Couplings in Quantum State-to-State Channels of Prototype Oxidation Processes

机译：量子 - 状态与原型氧化过程通道中的电子重排和角动量联轴器

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

An innovative theoretical method to describe the microscopic dynamics of chemi-ionization reactions as prototype oxidation processes driven by selective electronic rearrangements has been recently published. It was developed and applied to reactions of Ne* atoms excited in their metastable ~(3)P_(J) state, and here, its physical background is extensively described in order to provide a clear description of the microscopic phenomenon underlying the chemical reactivity of the oxidative processes under study. It overcomes theoretical models previously proposed and reproduces experimental results obtained in different laboratories. Two basic reaction mechanisms have been identified: (i) at low collision energies, a weakly bounded transition state is formed which spontaneously ionizes through a radiative physical mechanism (photoionization); (ii) in the hyperthermal regime, an elementary oxidation process occurs. In this paper, the selectivity of the electronic rearrangements triggering the two mechanisms has been related to the angular momentum couplings by Hund’s cases, casting further light on fundamental aspects of the reaction stereodynamics of general interest. The obtained results allow peculiar characteristics and differences of the terrestrial oxidizing chemistry compared to that of astrochemical environments to be highlighted.
机译：最近发表了一种创新的理论方法，将化学电离反应的微观动力学描述为由选择性电子重排驱动的原型氧化过程。它被开发并应用于亚稳态~（3）P_J（J）态激发的Ne*原子的反应，这里广泛描述了它的物理背景，以便清楚地描述研究中氧化过程的化学反应性背后的微观现象。它克服了先前提出的理论模型，再现了在不同实验室获得的实验结果。已经确定了两种基本的反应机制：（i）在低碰撞能量下，形成弱束缚跃迁态，该跃迁态通过辐射物理机制（光电离）自发电离；（ii）在高温状态下，发生基本氧化过程。在本文中，触发这两种机制的电子重排的选择性通过Hund的例子与角动量耦合有关，进一步阐明了人们普遍感兴趣的反应立体动力学的基本方面。所获得的结果突出了地球氧化化学与天体化学环境的特殊特征和差异。

著录项

相似文献

  • 外文文献
  • 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