ABSTRACT
The valence ionization spectra covering the binding energy range 0-45 eV of alkali bromide XBr (X = Li, Na, K, Rb) vapors are studied within the framework of the propagator theory. Relativistic Algebraic Diagrammatic Construction calculations have been carried out in order to investigate photoionization processes and to describe molecular electronic structure. Theoretical results are compared with available experimental data.
Subject(s)
Bromides/chemistry , Metals, Alkali/chemistry , Quantum Theory , Photoelectron SpectroscopyABSTRACT
Molecular Auger electron spectra following the bromine 3d ionization in gas-phase alkali bromides and in HBr were studied both experimentally and theoretically. The AES for HBr and CsBr were measured using photoexcitation, and for LiBr, NaBr, and KBr by using electron impact. These results are compared with the theoretical spectra from nonrelativistic ab initio calculations and one-center approximation and with the spectra of Br(-), computed with the multiconfiguration Dirac-Fock method.