Academic Journal
UPS and DFT investigation of the electronic structure of gas-phase trimesic acid
| العنوان: | UPS and DFT investigation of the electronic structure of gas-phase trimesic acid |
|---|---|
| المؤلفون: | Reisberg, L., Pärna, R., Kikas, A., Kuusik, I., Kisand, V., Hirsimäki, M., Valden, M., Nõmmiste, E. |
| المساهمون: | Tampere University, Optoelectronics Research Centre, Research group: Surface Science |
| سنة النشر: | 2018 |
| مصطلحات موضوعية: | 114 Physical sciences |
| الوصف: | Benzene-1,3,5-tricarboxylic acid (trimesic acid, TMA) molecules in gas-phase have been investigated by using valence band photoemission. The photoelectron spectrum in the binding energy region from 9 to 22 eV is interpreted based on the density functional theory calculations. The electronic configuration that makes contribution to each transition is demonstrated. Furthermore, electronic structure of TMA is compared with benzene and benzoic acid (BA) in order to demonstrate changes in molecular orbital energies induced by addition of carboxyl groups to benzene ring. ; Peer reviewed |
| نوع الوثيقة: | article in journal/newspaper |
| وصف الملف: | fulltext |
| اللغة: | English |
| Relation: | 213; https://trepo.tuni.fi/handle/10024/125870 |
| DOI: | 10.1016/j.elspec.2016.10.004 |
| الاتاحة: | https://trepo.tuni.fi/handle/10024/125870 https://doi.org/10.1016/j.elspec.2016.10.004 |
| Rights: | cc by-nc-nd 4.0 ; openAccess |
| رقم الانضمام: | edsbas.CE868D71 |
| قاعدة البيانات: | BASE |
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