Ammonia Borane, NH\(_{3}\)BH\(_{3}\): A Threshold Photoelectron-Photoion Coincidence Study of a Potential Hydrogen-Storage Material
Please always quote using this URN: urn:nbn:de:bvb:20-opus-318895
- We have investigated the photoionization of ammonia borane (AB) and determined adiabatic ionization energy to be 9.26±0.03 eV for the X\(^{+}\) \(^{2}\)E←X \(^{1}\)A\(_{1}\) transition. Although the threshold photoelectron spectrum appears at first glance to be similar to the one of the isosteric ethane, the electronic situation differs markedly, due to different orbital energies. In addition, an appearance energy AE\(_{0K}\)-(NH\(_{3}\)BH\(_{3}\), NH\(_{3}\)BH\(_{2}\)\(^{+}\))= 10.00±0.03 eV has been determined, corresponding to the loss of aWe have investigated the photoionization of ammonia borane (AB) and determined adiabatic ionization energy to be 9.26±0.03 eV for the X\(^{+}\) \(^{2}\)E←X \(^{1}\)A\(_{1}\) transition. Although the threshold photoelectron spectrum appears at first glance to be similar to the one of the isosteric ethane, the electronic situation differs markedly, due to different orbital energies. In addition, an appearance energy AE\(_{0K}\)-(NH\(_{3}\)BH\(_{3}\), NH\(_{3}\)BH\(_{2}\)\(^{+}\))= 10.00±0.03 eV has been determined, corresponding to the loss of a hydrogen atom at the BH\(_{3}\)-site. From the data, a 0 K bond dissociation energy for the B−H bond in the cation of 71.5±3 kJ mol\(^{-1}\) was derived, whereas the one in the neutral compound has been estimated to be 419±10 kJ mol\(^{-1}\).…
Author: | Domenik Schleier, Marius Gerlach, Deb Pratim Mukhopadhyay, Emil Karaev, Dorothee Schaffner, Patrick Hemberger, Ingo Fischer |
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URN: | urn:nbn:de:bvb:20-opus-318895 |
Document Type: | Journal article |
Faculties: | Fakultät für Chemie und Pharmazie / Institut für Physikalische und Theoretische Chemie |
Language: | English |
Parent Title (English): | Chemistry-A European Journal |
Year of Completion: | 2022 |
Volume: | 28 |
Issue: | 42 |
Article Number: | e202201378 |
Source: | Chemistry-A European Journal 2022, 28(42):e202201378. DOI: 10.1002/chem.202201378 |
DOI: | https://doi.org/10.1002/chem.202201378 |
Dewey Decimal Classification: | 5 Naturwissenschaften und Mathematik / 54 Chemie / 541 Physikalische Chemie |
Tag: | Jahn–Teller effect; ammonia borane; hydrogen storage; molecular orbitals; photoelectron spectroscopy |
Release Date: | 2023/08/16 |
Licence (German): | CC BY-NC: Creative-Commons-Lizenz: Namensnennung, Nicht kommerziell 4.0 International |