Photoionization and Dissoziative Photoionization of Reactive Molecules Using Synchrotron Radiation

使用同步辐射的反应分子的光电离和解离光电离

• 批准号: 85814596
• 负责人: Professor Dr. Ingo Fischer
• 金额: --
• 依托单位: Institut für Physikalische und Theoretische Chemie
• 依托单位国家: 德国
• 项目类别: Research Grants
• 财政年份: 2008
• 资助国家: 德国
• 起止时间: 2007-12-31 至 2015-12-31
• 项目状态: 已结题
• 来源: https://gepris.dfg.de/gepris/projekt/85814596?language=en
• 关键词: Photoionization; Dissoziative; Reactive; Molecules; Using

In this project we will continue our research on the photoionization and dissociative photoionization of reactive molecules using synchrotron radiation. The molecules will be generated by pyrolysis from suitable precursors. Molecular parameters like ionization and appearance energies will be determined in order to derive thermochemical properties like binding energies and heats of formation. Furthermore the data will aid in the on-line identification of radicals in flames. A further exciting aspect of this project is the possibility to spectroscopically identify hitherto unknown reactive intermediates. We will extend our studies of reactive molecules containing heteroatoms, in particular nitrogen, because N-containing radicals are not well explored. We will investigate NH2 and NH, two small radicals of astrochemical relevance, the N-heterocyclic radicals pyridyl and pyrrolyl, which are expected to be present in biofuel combustion and the CNN radical. Another candidate is azaboridine, a heterocycle that contains B and N atoms. A further system of interest is the pyrolysis of diazomeldrums acid. Preliminary experiments indicate the formation of several unusual and not yet characterized species from this precursor, among them the linear chain NNCCO and an oxazole-ylidene. We will verify the generation of these species in further experiments. Studies on the photoionization of reactive hydrocarbons will be continued. Some of the less stable isomer of C7H6 have not yet been successfully characterized and will be readdressed. Subject of the next phase of the project are also the isomers of butenyl, C4H7. Finally we will determine the ionization energies of several polycyclic aromatic hydrocarbons (PAH) composed of five- and six-membered rings that are possibly involved in soot formation.

在本计画中，我们将继续利用同步辐射进行反应性分子的光离化与解离光离化的研究。分子将通过热解从合适的前体产生。分子参数，如电离和外观能量将被确定，以获得热化学性质，如结合能和热的形成。此外，这些数据将有助于在线识别火焰中的自由基。该项目的另一个令人兴奋的方面是光谱鉴定迄今未知的活性中间体的可能性。我们将扩展我们的研究含有杂原子，特别是氮的反应性分子，因为含N的自由基没有得到很好的探索。我们将研究NH 2和NH，两个小的自由基的天体化学相关性，N-杂环基团吡啶基和吡咯基，这是预计将存在于生物燃料燃烧和CNN自由基。另一个候选物是氮杂硼杂环，一种含有B和N原子的杂环。另一个感兴趣的系统是重氮米林酸的热解。初步的实验表明，形成了几个不寻常的，尚未表征的物种，从这个前体，其中的线性链NNCCO和恶唑亚基。我们将在进一步的实验中验证这些物种的产生。将继续研究活性烃的光致电离。C7 H6的一些不太稳定的异构体尚未成功地表征，将被重新处理。该项目下一阶段的主题也是丁烯C4 H7的异构体。最后，我们将确定几个多环芳烃（PAH）组成的五元环和六元环，可能参与烟尘形成的电离能。

项目成果

Threshold photoelectron spectroscopy of unstable N-containing compounds: Resolution of ΔK subbands in HNCO(+) and vibrational resolution in NCO(.).

• DOI: 10.1063/1.4920951
• 发表时间: 2015-05
• 期刊: The Journal of chemical physics
• 作者: F. Holzmeier;M. Lang;I. Fischer;Xiaofeng Tang;B. K. Cunha de Miranda;C. Romanzin;C. Alcaraz;P. Hemberger

Threshold Photoelectron Spectra of Combustion Relevant C4H5 and C4H7 Isomers.

• DOI: 10.1021/acs.jpca.5b02153
• 发表时间: 2015-04
• 期刊: The journal of physical chemistry. A
• 作者: M. Lang;F. Holzmeier;P. Hemberger;I. Fischer

Observing Femtosecond Fragmentation Using Ultrafast X-ray-Induced Auger Spectra

使用超快 X 射线诱导俄歇光谱观察飞秒碎片

• DOI: 10.3390/app7070681
• 发表时间: 2017
• 期刊: Applied Sciences
• 作者: T. J. A. Wolf;F. Holzmeier;I. Wagner;N. Berrah C. Bostedt;J. Bozek;P. Bucksbaum;R. Coffee;J. Cryan;J. Farrell;R. Feifel;T. J. Martinez;B. McFarland;M. Mucke;S. Nandi;F. Tarantelli;I. Fischer;M. Gühr
• 通讯作者: M. Gühr