Report
Momentum-space imaging of {\sigma}-orbitals for chemical analysis
| العنوان: | Momentum-space imaging of {\sigma}-orbitals for chemical analysis |
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| المؤلفون: | Haags, Anja, Yang, Xiaosheng, Egger, Larissa, Brandstetter, Dominik, Kirschner, Hans, Bocquet, François C., Koller, Georg, Gottwald, Alexander, Richter, Mathias, Gottfried, J. Michael, Ramsey, Michael G., Puschnig, Peter, Soubatch, Serguei, Tautz, F. Stefan |
| المصدر: | Sci. Adv. 8, eabn0819 (2022) |
| سنة النشر: | 2021 |
| المجموعة: | Condensed Matter Physics (Other) |
| مصطلحات موضوعية: | Physics - Chemical Physics, Condensed Matter - Mesoscale and Nanoscale Physics |
| الوصف: | Tracing the modifications of molecules in surface chemical reactions benefits from the possibility to image their orbitals. While delocalized frontier orbitals with {\pi}-character are imaged routinely with photoemission orbital tomography, they are not always sensitive to local chemical modifications, particularly the making and breaking of bonds at the molecular periphery. For such bonds, {\sigma}-orbitals would be far more revealing. Here, we show that these orbitals can indeed be imaged in a remarkably broad energy range, and that the plane wave approximation, an important ingredient of photoemission orbital tomography, is also well fulfilled for these orbitals. This makes photoemission orbital tomography a unique tool for the detailed analysis of surface chemical reactions. We demonstrate this by identifying the reaction product of a dehalogenation and cyclodehydrogenation reaction. |
| نوع الوثيقة: | Working Paper |
| DOI: | 10.1126/sciadv.abn0819 |
| URL الوصول: | http://arxiv.org/abs/2111.00250 |
| رقم الانضمام: | edsarx.2111.00250 |
| قاعدة البيانات: | arXiv |
| DOI: | 10.1126/sciadv.abn0819 |
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