TY  - JOUR
A1  - Schleier, Domenik
A1  - Gerlach, Marius
A1  - Pratim Mukhopadhyay, Deb
A1  - Karaev, Emil
A1  - Schaffner, Dorothee
A1  - Hemberger, Patrick
A1  - Fischer, Ingo
T1  - Ammonia Borane, NH\(_{3}\)BH\(_{3}\): A Threshold Photoelectron-Photoion Coincidence Study of a Potential Hydrogen-Storage Material
JF  - Chemistry-A European Journal
N2  - 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 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\(^{-1}\).
KW  - ammonia borane
KW  - photoelectron spectroscopy
KW  - molecular orbitals
KW  - hydrogen storage
KW  - Jahn–Teller effect
Y1  - 2022
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-318895
VL  - 28
IS  - 42
ER  -