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This study explores the reaction mechanism between [(BDI)Ca(μ‐H)] 2 and cyclopentadiene (C 5 H 6 ). By analyzing the reaction pathways, it is found that compared with the traditional CaH/CC insertion reaction of polyenes with [(BDI)Ca(μ‐H)] 2 , C 5 H 6 is more inclined to undergo a CaH/CH 2 dehydrogenation reaction, resulting in more stable cyclopentadienyl complexes. The subsequent reactions also tend to continue with dehydrogenation to form dimeric complexes. The aromatization process of C 5 H 6 is a key factor driving this reaction trend. This result provides a new perspective for understanding the catalytic behavior of calcium hydride derivatives and can help in the design and synthesis of new catalysts and functional materials based on such compounds.
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Liu et al. (2024) studied this question.
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