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Unprecedented Molecular Dynamics in the Solid State Induced During Mechanochemical Synthesis of Azobenzene/Triphenylphosphine Palladacycles

We have prepared the first triphenylphosphine derivatives of dicyclopalladated azobenzene complexes by two different preparative methods: grinding and conventional solution-based reactions. Both synthetic routes have produced the same thermodynamically favorable halogen-bridged dipalladium complexes (1a-4a) and have demonstrated for the first time the possibility of very complex molecular dynamics in the solid state (Scheme 1). Structural and photophysical properties of novel complexes have been characterized by experimental (X-ray analysis, 1H and 31P NMR, UV-visible and fluorescence spectroscopies) and computational methods. The obtained results are important for understanding of the structural transformations occurring during mechanical processing of solid reactants and will have significant implication for the future design and synthesis of new coordination compounds.

mechanochemistry; cyclopalladated azobenzenes; triphenylphosphine; X-ray diffraction; MAS NMR; DFT

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