Inner-shell d excitation in gas phase heavy-metal halides by synchrotron radiation photoemission and ab initio CI calculations

Sn 4d electron excitations have been investigated in SnBr 2 and SnCI 2 free molecules experimentally and theoretically. The total ion yield (TIY) spectrum of tin dibromide in the Sn 4d excitation region (24 - 35 eV) is reported. The assignment of the experimental spectrum of SnBr2 is based on the excitation spectrum calculated at ab initio Configuration Interaction (CI) level, as well as on the comparison with experimental and theoretical data previously obtained for SnCI2. Photoion efficiency (PIE) curves obtained in the same photon energy region show that some photofragment ion channels are preferentially involved in the decay of these resonances in both SnBr 2 and SnCI2.