preprints.org > chemistry and materials science > inorganic and nuclear chemistry > doi: 10.20944/preprints202309.1323.v1

Preprint Article Version 1 Preserved in Portico This version is not peer-reviewed

Version 1 : Received: 19 September 2023 / Approved: 19 September 2023 / Online: 19 September 2023 (13:28:20 CEST)

Three monoruthenium complexes 1(PF6)23(PF6)2 bearing a N(CH3)-bridged ligand have been synthesized and characterized. These complexes have a general formula of [Ru(bpy)2(L)](PF6)2, where L is a 2,5-di(N-methyl-N-(pyrid-2-yl)amino)pyrazine (dapz) derivative with various substituents and bpy is 2,2′-bipyridine. The photophyscial and electrochemical properties of these compounds have been examined. The solid-state structure of complex 3(PF6)2 is studied by single crystal X-ray analysis. These complexes show two well-separated emission bands centered at 451 and 646 nm (max = 195 nm) for 1(PF6)2, 465 and 627 nm (max = 162 nm) for 2(PF6)2, and 455 and 608 nm (max = 153 nm) for 3(PF6)2 in dilute acetonitrile solution, respectively. The emission maxima of the higher-energy emission bands of these complexes are similar, while the lower-energy emission bands are dependent on the electronic nature of substituents. These complexes display two consecutive redox couples owing to the stepwise oxidation of the N(CH3)-bridged ligand and ruthenium component. In addition, density functional theory (DFT) and time-dependent density functional theory (TD-DFT) calculations are carried out to elucidate these experimental findings.

dual emission; ruthenium; polypyridyl ligand; electrochemistry; photophysics

Chemistry and Materials Science, Inorganic and Nuclear Chemistry

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