Holzmeier Fabian, Lang Melanie, Hemberger Patrick, Bodi Andras, Schäfer Marius, Dewhurst Rian D, Braunschweig Holger, Fischer Ingo
Institute of Physical and Theoretical Chemistry, University of Würzburg, Am Hubland, 97074 Würzburg (Germany).
Chemistry. 2014 Jul 28;20(31):9683-92. doi: 10.1002/chem.201402884. Epub 2014 Jun 26.
The photoionization and dissociative photoionization of 1,4-di-tert-butyl-1,4-azaborinine by means of synchrotron radiation and threshold photoelectron photoion coincidence spectroscopy is reported. The ionization energy of the compound was determined to be 7.89 eV. Several low-lying electronically excited states in the cation were identified. The various pathways for dissociative photoionization were modeled by statistical theory, and appearance energies AE0K were obtained. The loss of isobutene in a retro-hydroboration reaction is the dominant pathway, which proceeds with a reverse barrier. Pyrolysis of the parent compound in a chemical reactor leads to the generation of several yet unobserved boron compounds. The ionization energies of the C4 H6 BN isomers 1,2- and 1,4-dihydro-1,4-azaborinine and the C3 H6 BN isomer 1,2-dihydro-1,3-azaborole were determined from threshold photoelectron spectra.
报道了通过同步辐射和阈值光电子光离子符合光谱法对1,4-二叔丁基-1,4-氮杂硼苯的光电离和解离光电离进行的研究。该化合物的电离能被确定为7.89 eV。在阳离子中识别出了几个低电子激发态。通过统计理论对解离光电离的各种途径进行了建模，并获得了出现能AE0K。异丁烯在逆硼氢化反应中的损失是主要途径，该途径以反向势垒进行。母体化合物在化学反应器中的热解导致生成几种尚未观察到的硼化合物。从阈值光电子能谱中确定了C4H6BN异构体1,2-和1,4-二氢-1,4-氮杂硼苯以及C3H6BN异构体1,2-二氢-1,3-氮杂硼咯的电离能。
