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The amount of the second isomer (2) in the as-deposited samples depends on the host. The analysis of TFacac spectra in the different hosts and under various experimental conditions allows the vibrational characterization of both chelated isomers. The comparison with theoretical predictions is also investigated.The electrocatalytic activity of transition-metal-based compounds is strongly related to the spin states. However, the underlying relationship connecting spin to catalytic activity remains unclear. Herein, we carried out densi