Abstract : Ab initio calculations for electronic states of hydrazine are reported. The VUV spectrum is analyzed. The first transitions are all Rydberg transitions and the first valence states are only expected above 10 eV. The first five vertical ionization potentials are reported. The structural properties of the N2H + ion conformers are discussed.
https://hal-univ-pau.archives-ouvertes.fr/hal-03225294 Contributor : isabelle barailleConnect in order to contact the contributor Submitted on : Wednesday, May 12, 2021 - 1:18:56 PM Last modification on : Monday, February 14, 2022 - 12:44:02 PM Long-term archiving on: : Friday, August 13, 2021 - 6:33:37 PM
Marie-Pierre Habas, Isabelle Baraille, Christiane Larrieu, Max Chaillet. Ab initio calculation of the electronic spectrum and ionization potentials of hydrazine. Chemical Physics, Elsevier, 1997, 219 (1), pp.63-71. ⟨10.1016/S0301-0104(97)00083-9⟩. ⟨hal-03225294⟩