A DFT study of cis-[Ru(NO)(NO2)bpy(dye)2]n+ complexes as NO donors

Everton Tomaz da Silva,Talis Uelisson da Silva,Karina de Carvalho Pougy, Renata Bortoleto da Silveira,Roberto Santana da Silva,Sérgio de Paula Machado

Inorganica Chimica Acta（2020）

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摘要

•A new complex, cis-[Ru(NO)(NO2)bpy(AO)2](PF6)2, was synthesized and characterized.•NO release from ruthenium-nitrosyl complexes with dye ligands was studied by DFT.•The complexes 1–3 showed a greater reduction ability than the others.•The complexes 3 and 1 presented a lowest bond dissociation energies (BDE).•The N-coordinated complexes 1–3 were the most promising ones to act as NO donors.

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Ruthenium nitrosyl,NO donors,Dye,DFT

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