Ab initio calculation of the electronic spectrum and ionization potentials of hydrazine

Marie-Pierre Habas; Isabelle Baraille; Christiane Larrieu; Max Chaillet

doi:10.1016/S0301-0104(97)00083-9

Journal articles

Ab initio calculation of the electronic spectrum and ionization potentials of hydrazine

Marie-Pierre Habas Isabelle Baraille ^{1, 2} Christiane Larrieu Max Chaillet

1 IPREM - Institut pluridisciplinaire de recherche sur l'environnement et les matériaux

2 IPREM - Institut des sciences analytiques et de physico-chimie pour l'environnement et les materiaux

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.

Keywords : ab initio calcn electronic state hydrazine, ionization potential Rydberg transition hydrazine

Document type :

Journal articles

Domain :

Chemical Sciences / Theoretical and/or physical chemistry

Chemical Sciences / Material chemistry

Chemical Sciences / Analytical chemistry

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https://hal-univ-pau.archives-ouvertes.fr/hal-03225294
Contributor : Isabelle Baraille <>
Submitted on : Wednesday, May 12, 2021 - 1:18:56 PM
Last modification on : Tuesday, May 18, 2021 - 3:36:10 AM

Ab initio calculation of the electronic spectrum and ionization potentials of hydrazine

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Ab initio calculation of the electronic spectrum and ionization potentials of hydrazine

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