Abstract
New mononuclear osmium complexes M1–M4 with various NCN‐cyclometalating pyrene ligands were synthesized and thoroughly characterized with particular emphasis on the nature of NCN‐cyclometalating pyrene ligands on the properties of target compounds. Structural properties were achieved by using the theoretical studies (DFT). Moreover, spectroscopic and theoretical studies (TD‐DFT) show the character of transitions and allow to understand the behavior of molecules during the stepwise oxidative titrations by using the cerium ammonium nitrate (CAN) solutions what resulted in M1+–M4+. The obtained experimental and theoretical data show the significant differences between the mononuclear osmium complexes M1–M4 in reference to used pyrene ligands.
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