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The diradical character of both homo\u2010 [(ADC)E]<jats:sub>2<\/jats:sub> and heteroleptic [(ADC)<jats:sub>2<\/jats:sub>EE'] systems (E \u2260 E') has been accurately computed, while the aromaticity of their corresponding closed\u2010shell (<jats:bold>CS<\/jats:bold>) and open\u2010shell (<jats:bold>OS<\/jats:bold>) singlet states has been evaluated using magnetic descriptors. Additionally, the key factors governing dihydrogen activation and cycloaddition with acetylene have been quantitatively analyzed in detail by applying the combination of the Activation Strain Model (ASM) of reactivity and Energy Decomposition Analysis (EDA) methods. 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