Generation of [1,2-(CH2)2C5Me3MC5Me4CH2-1′]3+ (M=Ru, Os) trications and determination of their structures by comparing NMR-spectra with density-functional method calculations

A general method for generating [1,2-(CH2)2C5Me3MC5Me4CH2]3+ trications, where M=Ru (4a) and Os (4b), from the salts of monocations [C5Me5MC5Me4CH2]+An− (1a,b, An−=BF4) by the action of dioxygen in a solution CF3SO3H superacid is presented. The energy characteristics of 4a and 4b have been calculated. NMR-spectra have been registered and analyzed. Conclusions received from NMR data for solutions of trications were compared with DFT calculation results of them in the gaseous phase.