...
  • 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>Chemical Physics: A Journal Devoted to Experimental and Theoretical Research Involving Problems of Both a Chemical and Physical Nature >He I photoelectron spectroscopy of formic acid isotopomers HCOOH and DCOOD
【24h】

He I photoelectron spectroscopy of formic acid isotopomers HCOOH and DCOOD

机译：甲酸同位异构体HCOOH和DCOOD的He I光电子能谱

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

He I photoelectron spectra (PES) of HCOOH and DCOOD have been measured with an electron kinetic energy resolution of 15 meV. Analysis of observed vibronic structure in the two PES bands in the 11.3-13.5 eV energy region provided values for several vibrational modes of the (X-tilde)~2A' and (A-tilde)~2A" electronic states of HCOOH~+ and DCOOD~+. This analysis is based on the implications of structural changes expected to occur on ionization, using literature values for calculated geometries of these states. The vibronic assignments of both PES bands were consistent with isotopic effects on vibrational mode frequencies and were helped by considerations on relations between carbon-oxygen bond lengths and stretch mode frequencies. The analysis of the second PES band indicates that the calculated structure of the (A-tilde)~2A" state of the ion requires more refined theoretical treatment. The PEs first ionization energy of HCOOH agrees well with that obtained from Rydberg series in absorption spectra, and values more precise than hitherto were obtained for the first and second ionization energies of DCOOD, 11.335 ± 0.002 eV and 12.380 ± 0.002 eV respectively, and the second ionization energy of HCOOH, 12.378 ± 0.002 eV.
机译：HCOOH和DCOOD的He I光电子能谱（PES）的电子动能分辨率为15 meV。分析在11.3-13.5 eV能量区域的两个PES频带中观察到的振动结构，为HCOOH〜+和（X-tilde）〜2A'和（A-tilde）〜2A“电子态的几种振动模式提供了值DCOOD〜+。该分析是基于预期的电离结构变化的影响，使用文献值计算的这些状态的几何形状，两个PES谱带的振动分配均与同位素对振动模式频率的影响一致，并得到了对第二个PES谱带的分析表明，所计算的离子的（A-tilde）〜2A“态结构需要更精细的理论处理。 PEs的HCOOH第一电离能在吸收光谱上与从Rydberg序列获得的能量非常吻合，并且对于DCOOD的第一和第二电离能分别获得了迄今为止最精确的值，分别为11.335±0.002 eV和12.380±0.002 eV，并且HCOOH的第二电离能为12.378±0.002 eV。

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