Abstract

The reaction of cobalt pivalate [Co(Piv)₂]_n and in situ generated N‑heterocyclic carbene IPrPh (1,3-bis(2,6-diisopropylphenyl)-2-phenylimidazol-4-ylidene) affords heteroligand complexes [Co₂(Piv)₄-(IPrPh)₂] (I), [Co₂(Piv)_2.8(O^tBu)_1.2(IPrPh)₂] (II), and [Co₃(μ₃-O)(Piv)₄(IPrPh)₂] (III). The structures of complexes II·C₆H₁₄ and III are determined by X-ray diffraction (XRD) (CIF files CCDC nos. 2216724 and 2216725, respectively). Exchange spin-spin interactions between the magnetic Со²⁺ ions in the synthesized compounds are estimated by quantum chemical calculations.

中文翻译：

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具有异常配位的 N-杂环卡宾的杂配钴配合物

摘要

新戊酸钴 [Co(Piv) ₂ ] _n与原位生成的 N-杂环卡宾 IPrPh (1,3-双(2,6-二异丙基苯基)-2-苯基咪唑-4-亚基)反应得到杂配体配合物 [Co ₂ (Piv) ₄ -(IPrPh) ₂ ] ( I )、[Co ₂ (Piv) _2.8 (O ^t Bu) _1.2 (IPrPh) ₂ ] ( II ) 和 [Co ₃ (μ ₃ -O)(Piv) ₄ (IPrPh) ₂ ]( III )。配合物II ·C ₆ H ₁₄和III通过 X 射线衍射 (XRD) 测定（CIF 文件 CCDC 编号分别为 2216724 和 2216725）。通过量子化学计算来估计合成化合物中磁性 Со ²⁺离子之间的交换自旋-自旋相互作用。