ao8b01861_si_002.cif (883.02 kB)

Tetrazine-Based Ligand Transformation Driving Metal–Metal Bond and Mixed-Valence HgI/HgII

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posted on 30.08.2018 by Maykon A. Lemes, Hilarie N. Stein, Bulat Gabidullin, Stephan N. Steinmann, Muralee Murugesu
Understanding the self-assembly of cluster aggregates remains an important challenge in coordination chemistry. A chelating tetrazine-based ligand was employed to isolate an unprecedented tetranuclear Hg4 complex exhibiting HgI/HgII mixed valence, which also contains metal–metal bonds. Single-crystal X-ray diffraction, X-ray photoelectron spectroscopy, solid-state nuclear magnetic resonance, and theoretical approaches (density functional theory) were employed to shed some light on the structure and self-assembly of this discrete molecule.