...
  • 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 >Gas-Phase Photoemission Investigation of Diethynylthiophene: Experiment and Theory
【24h】

Gas-Phase Photoemission Investigation of Diethynylthiophene: Experiment and Theory

机译：二乙炔基噻吩的气相光发射研究：实验和理论

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 photoelectron (PE) and X-ray absorption (NEXAFS) spectra of gaseous diethynylthiophene (DET) at the C 1s and S 2p core levels are presented and discussed. The NEXAFS spectra have been obtained in the total-ion-yield mode. The ionization energies have been determined for C 1s and S 2p spectra by ΔSCF calculations, while the NEXAFS spectra, at both the C K-edge and S L-edge, have been simulated by STEX calculations. Good agreement between experiment and theory is generally observed. A strong perturbation of the electronic structure of thiophene at the α- and β-carbon atoms, induced by the two ethynyl substituents, is inferred by the analysis of the spectra.
机译：提出并讨论了气态二乙炔噻吩（DET）在C 1s和S 2p核能级下的光电子（PE）和X射线吸收（NEXAFS）光谱。 NEXAFS光谱以总离子产率模式获得。已通过ΔSCF计算确定了C 1s和S 2p光谱的电离能，同时通过STEX计算模拟了C K边缘和S L边缘的NEXAFS光谱。通常观察到实验与理论之间的良好一致性。通过两个乙炔基取代基引起的噻吩在α-和β-碳原子上的电子结构的强烈扰动可通过光谱分析得出。

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