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

摘要

A general method for generating [1,2-(CH2),C5Me3MC5Me4CH2](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. (C) 2002 Elsevier Science B.V. All rights reserved. [References: 21]