Complete investigation on the synthesis of [Ru(bpydip)Cl2]: the nonformation of cis isomer

Complexation between the Schiff base N4-tetradentate N,N′-bis(7-methyl-2-pyridylmethylene)-1,3-diiminopropane (bpydip) and ion Ru(II) occurs only in trans geometry. However, it is known that the most complex of these ligands with ruthenium present predominantly cis geometry. In order to clarify the effects that drive the formation of the complex [Ru(bpydip)Cl2], we performed a new experimental study of the reaction and a complete theoretical investigation of their transition states. The results showed that nonformation of the cis isomer could be explained by the difference in relative stability of the reaction products and the transition states proposed.