...
  • 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 >Methane Activation by Laser-Ablated Th Atoms: Matrix Infrared Spectra and Theoretical Investigations of CH3-Th-H and CH2=ThH2
【24h】

Methane Activation by Laser-Ablated Th Atoms: Matrix Infrared Spectra and Theoretical Investigations of CH3-Th-H and CH2=ThH2

机译：激光烧蚀Th原子活化甲烷：基质红外光谱和CH3-Th-H和CH2 = ThH2的理论研究

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

Methane activation by laser-ablated Th atoms on the triplet potential energy surface produces the methylthorium hydride, CH3-Th-H, that converts smoothly by alpha-H transfer to CH2-ThH2, which relaxes in the matrix to the more stable singlet methylidene, CH2-ThH2. This first actinide methylidene was characterized from argon matrix infrared spectra and B3LYP calculations in our laboratory. We now report neon matrix investigations, which include the methylthorium hydride and the Th-D stretching modes of CD2=ThD2 that are blue-shifted in neon from under the intense CD4 precursor absorption, and reactions with CH2D2 that give rise to the CHD-ThHD modifications and their alpha-H and alpha-D transfer counterparts CD2=ThH2 and CH2=ThD2. New intrinsic reaction coordinate calculations show that this reaction proceeds smoothly on the triplet potential energy surface.
机译：通过三重态势能表面上的激光烧蚀Th原子进行甲烷活化，生成甲基th氢化物CH3-Th-H，它通过α-H转移平稳地转化为CH2-ThH2，后者在基质中松弛为更稳定的单重亚甲基CH2-ThH2。在我们的实验室中，通过氩气基质红外光谱和B3LYP计算来表征第一个act系元素亚甲基。现在，我们报告霓虹灯基质研究，包括甲基th氢化物和CD2 = ThD2的Th-D拉伸模式，这些CD2 = ThD2在氖气中从强烈的CD4前体吸收下蓝移，以及与CH2D2的反应导致CHD-ThHD修饰及其α-H和α-D转移对应物CD2 = ThH2和CH2 = ThD2。新的内在反应坐标计算表明，该反应在三重态势能表面上平稳进行。

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