Photoionization and Dissoziative Photoionization of Reactive Molecules Using Synchrotron Radiation

在本项目中，我们将继续利用同步辐射进行活性分子的光电离和解离光电离的研究。分子将通过热解从合适的前体生成。分子参数，如电离能和外观能将被确定，以得出热化学性质，如结合能和形成热。此外，这些数据将有助于火焰中自由基的在线识别。这个项目的另一个令人兴奋的方面是光谱鉴定迄今未知的反应中间体的可能性。我们将扩展我们对含有杂原子的活性分子的研究，特别是氮，因为含有n的自由基还没有得到很好的探索。我们将研究NH2和NH2这两个与天体化学相关的小自由基，n杂环自由基吡啶基和吡咯基，它们预计会出现在生物燃料燃烧和CNN自由基中。另一个候选是氮杂环，一种含有B和N原子的杂环。另一个令人感兴趣的系统是重氮鼓酸的热解。初步实验表明，该前体形成了几种不寻常的尚未表征的物种，其中包括线性链NNCCO和恶唑-吡啶。我们将在进一步的实验中验证这些物种的产生。对活性烃的光电离的研究将继续进行。C7H6的一些不太稳定的异构体尚未被成功地表征，将被重新定位。该项目的下一阶段的课题也是丁烯基C4H7的异构体。最后，我们将确定几种由五元环和六元环组成的多环芳烃（PAH）的电离能，这些多环芳烃可能参与了烟灰的形成。

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.