Ammonia borane, NH&lt;sub&gt;3&lt;/sub&gt;BH&lt;sub&gt;3&lt;/sub&gt;: a threshold photoelectron-photoion coincidence study of a potential hydrogen-storage material

Schleier, Domenik; Gerlach, Marius; Pratim Mukhopadhyay, Deb; Karaev, Emil; Schaffner, Dorothee; Hemberger, Patrick; Fischer, Ingo

doi:10.1002/chem.202201378

Ammonia borane, NH₃BH₃: a threshold photoelectron-photoion coincidence study of a potential hydrogen-storage material

Schleier D, Gerlach M, Pratim Mukhopadhyay D, Karaev E, Schaffner D, Hemberger P & Fischer I

Citation

Schleier, D., Gerlach, M., Pratim Mukhopadhyay, D., Karaev, E., Schaffner, D., Hemberger, P., & Fischer, I. (2022). Ammonia borane, NH₃BH₃: a threshold photoelectron-photoion coincidence study of a potential hydrogen-storage material. Chemistry: A European Journal, 28(42), e202201378 (6 pp.). https://doi.org/10.1002/chem.202201378

Persistent URL https://www.dora.lib4ri.ch/psi/islandora/object/psi:43632

We have investigated the photoionization of ammonia borane (AB) and determined adiabatic ionization energy to be 9.26±0.03 eV for the X⁺²E←X ¹A₁ 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(NH₃BH₃, NH₃BH₂⁺)= 10.00±0.03 eV has been determined, corresponding to the loss of a hydrogen atom at the BH₃-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.