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Synthesis, Solid-State Structures, and Computational Studies of Half-Sandwich Cp*BeX (X = Cl, Br, I) Compounds

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https://figshare.com/articles/dataset/Synthesis_Solid_State_Structures_and_Computational_Studies_of_Half_Sandwich_Cp_BeX_X_Cl_Br_I_Compounds/2156407
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资源简介:
The solid-state structures of half-sandwich beryllium complexes Cp*BeX (X = Cl (1), Br (2), I (3)) are described. All attempts to synthesize Cp*BeF (4) by reaction of 1–3 with several fluorinating reagents such as AgF2, XeF2, 4-FC6H4IF2, AgF, NaF, and Me4NF failed. However, the reaction of 3 and AgF in resulted in the unexpected synthesis of the known beryllocene Cp*2Be (5). Quantum-chemical calculations were performed to investigate the electronic structures of 1–4.
创建时间:
2016-02-13
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