An investigation of the bonding in [Ru2(O2CCF3)4] and [Ru2(O2CCF3)4(NO)2]
Abstract
Vapour-phase He I and He II photoelectron (p.e.) spectra have been obtained for [Ru2(O2CCF3)4] and [Ru2(O2CCF3)4(NO)2]. Extended-Hückel and Fenske–Hall calculations of the model systems [Ru2(O2CH)4] and [Ru2(O2CH)4(NO)2] were used to analyse the bonding in these complexes and to interpret the p.e. spectra. The p.e. spectrum of [Ru2(O2CCF3)4] has been unambigously assigned but the experimental data do not establish whether the ground-state electron configuration is σ2π4δ2π*3δ*1 or σ2π4δ2π*2δ*2. The calculations and p.e. spectra support a groundstate configuration of σ2π4δ2π*4δ*2 for [Ru2(O2CCF3)4(NO)2].