Electronic Structure and Excited State Dynamics of Carbon-chain free radicals

碳链自由基的电子结构和激发态动力学

基本信息

批准号：
09440194
负责人：
ENDO Yasuki
金额：
$ 8.77万
依托单位：
The University of Tokyo
依托单位国家：
日本
项目类别：
Grant-in-Aid for Scientific Research (B)
财政年份：
1997
资助国家：
日本
起止时间：
1997 至 1999
项目状态：
已结题

项目摘要

Carbon-chain free radicals such as CィイD24ィエD2H and CィイD23ィエD2N have been extensively investigated by microwave spectroscopy and radio astronomy. However, their electronic structures especially those in excited electronic states and their reaction dynamics have not been understood in detail. This project has intended to reveal details of such carbon-chain free radicals, in particular their excited electronic states and excited state dynamics.We have successfully applied stimulated emission pumping (SEP) spectroscopy to the HCCS radical to understand detailed vibronic structure in the ground electronic state, which is subjected to the Renner-Teller interaction. The present results are expected to be valuable to understand the excited state vibronic structure, which has not analyzed yet although many of vibronic bands have been observed.Visible and near infrared spectra of the CCS radical have been observed for the first time. The species has been known to be an important free radical in interstellar space. We have developed a new scheme of microwave-optical double resonance spectroscopy, which has successfully applied to the study of the CCS radical in the near infrared region.Furthermore, we have observed electronic and pure rotational spectra of a completely unknown new carbon-chain free radical, NCィイD23ィエD2O. Its linearity in the ground electronic state has been discussed based on the observed spectra. We have observed carbon-chain free radicals containing a nitrogen atom, HCィイD24ィエD2N, CHCHCN, and HィイD22ィエD2CィイD23ィエD2N by microwave spectroscopy.

碳链自由基如 C2D24D2H 和 C2D23D2N 已通过微波光谱学和射电天文学进行了研究，但是，它们的电子结构，特别是处于激发电子态的电子结构及其反应动力学尚未得到详细了解。这些碳链自由基，特别是它们的激发电子态和激发态动力学。我们已成功地将受激发射泵浦（SEP）光谱应用于 HCCS 自由基理解受 Renner-Teller 相互作用影响的基态电子态的详细振动结构。目前的结果预计对于理解激发态振动结构很有价值，尽管已经观察到许多振动带，但尚未对其进行分析。 .首次观测到CCS自由基的可见光和近红外光谱，该物种被认为是星际空间中的重要自由基。我们开发了一种新的微波光学双共振光谱方案。成功应用于近红外区域CCS自由基的研究。此外，我们还观察到了一种完全未知的新型碳链自由基NCD23D2O的电子谱和纯旋转谱，并基于该谱讨论了其基电子态的线性。我们观察到含有氮原子的碳链自由基、HC2D24D2N、CHCHCN 和HiD22D2CD23D2N 通过微波光谱分析。