Normal Auger spectra of iodine in gas phase alkali iodide molecules

• Published in: Chemical physics Vol. 313; no. 1; pp. 77 - 83
• Main Authors: Hu, Zhengfa, Caló, Antonio, Kukk, Edwin, Aksela, Helena, Aksela, Seppo
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 27.06.2005
• Subjects: Alkali iodide; Auger electron spectra; Molecular field effect; Alkali iodide; Auger electron spectra; Molecular field effect
• ISSN: 0301-0104
• DOI: 10.1016/j.chemphys.2004.12.014

Molecular normal Auger electron spectra following the iodine 4d ionization in gas-phase alkali iodides were investigated both experimentally and theoretically. The Auger electron spectra for LiI, NaI and KI were recorded using electron impact, and for RbI by using photo-excitation. These Auger spectra were analyzed in detail and compared to the referenced normal Auger spectra of HI [L. Karlsson, S. Svensson, P. Baltzer, M. Carlsson-Göthe, M.P. Keane, A. Naves de Brito, N. Correia, B. Wannberg, J. Phys. B 22 (1989) 3001]. An energy shift toward higher kinetic energy and a narrowing in linewidth are observed in the Auger spectra series revealing the effect of the changing environment from covalently bonded HI to ionic alkali iodide compounds. The experimental results are also compared with the theoretical ab initio calculations and with the Auger spectra of I −, computed with the multiconfiguration Hartree–Fock (MCHF) method.