...
  • 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 >Tautomerism in cytosine and uracil: A theoretical and experimental X-ray absorption and resonant auger study
【24h】

Tautomerism in cytosine and uracil: A theoretical and experimental X-ray absorption and resonant auger study

机译：胞嘧啶和尿嘧啶中的互变异构：理论和实验X射线吸收和共振钻研究

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 core level photoabsorption spectra of the nucleobases cytosine and uracil in the gas phase have been measured and the results interpreted with theoretical calculations using an ab initio Greens function approach. A single tautomer of uracil is populated, in agreement with previous work, while three tautomers of cytosine are clearly identified, whose identity and relative populations at the temperature of the experiment were reported previously. The second-order ADC approach to polarization propagator was employed in calculations of X-ray photoabsorption energies and intensities. The theoretical spectra have been constructed as Boltzmann-factor-weighted sums of individual tautomer spectra. These theoretical spectra are in good agreement with the experimental photoabsorption results at the oxygen, nitrogen, and carbon edges. In addition we report resonant Auger spectra of the valence band of cytosine, which support previous assignments of the character of the valence band states.
机译：已测量了气相中胞嘧啶和尿嘧啶核碱基的核心能级光吸收光谱，并使用从头算Greens函数方法通过理论计算对结果进行了解释。与以前的工作一致，一个尿嘧啶的互变异构体被填充，而胞嘧啶的三个互变异构体被清楚地识别出来，它们的身份和相对种群在实验温度下已被报道。 X射线光吸收能量和强度的计算采用了二阶ADC偏振传播器方法。理论光谱已构建为各个互变异构体光谱的玻尔兹曼因子加权和。这些理论光谱与氧，氮和碳边缘的实验光吸收结果非常吻合。另外，我们报告了胞嘧啶价带的共振俄歇谱，其支持价带状态特征的先前分配。

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