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• W2617001444 endingPage "7938" @default.
• W2617001444 startingPage "7926" @default.
• W2617001444 abstract "We report on the investigation of a new series of symmetric trinuclear ruthenium complexes combined with azanaphthalene ligands: [Ru3O(CH3COO)6(L)3]PF6 where L = (1) quinazoline (qui), (2) 5-nitroisoquinoline (5-nitroiq), (3) 5-bromoisoquinoline (5-briq), (4) isoquinoline (iq), (5) 5-aminoisoquinoline (5-amiq), and (6) 5,6,7,8-tetrahydroisoquinoline (thiq). The crystal structure of complex 1, [Ru3O(CH3COO)6(qui)3]PF6, was determined by X-ray diffraction analysis, showing a high degree of co-planarity between the [Ru3O] plane and the azanaphthalene ligands. Spectroscopic (UV-visible, NMR and infra-red) and electrochemical (cyclic voltammetry and spectroelectrochemistry) data showed correlation with the pKa values of the azanaphthalene ligands and this dependence was rationalized in terms of the molecular orbital of the [Ru3O] unit and the structure of the ligands. By analysing the spectroscopic and electrochemical correlations, the ability of the azanaphthalene ligands to extend the electronic π-system of the [Ru3O] unit to the periphery of the compounds was demonstrated. This electronic effect accounts for the planarity of the structure of complex 1. It was also shown through molecular modeling results that, to explain the spectroscopic and electrochemical behaviour of these species, it is not possible to neglect the electronic mixing between the metallic and the acetate orbitals. Finally, this work revealed that electronic coupling is more pronounced in the azanaphthalene series of complexes than in pyridinic analogues and it is this coupling that determines the spectroscopic and electrochemical behaviour of the new species." @default.
• W2617001444 created "2017-06-05" @default.
• W2617001444 creator A5009134296 @default.
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• W2617001444 date "2017-01-01" @default.
• W2617001444 modified "2023-10-02" @default.
• W2617001444 title "An extended π-system and enhanced electronic delocalization on symmetric [Ru₃O(CH₃COO)₆(L)₃]ⁿ complexes combined with azanaphthalene ligands" @default.
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• W2617001444 doi "https://doi.org/10.1039/c7dt01152k" @default.
• W2617001444 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/28604871" @default.
• W2617001444 hasPublicationYear "2017" @default.
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