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Synthesis and Characterizations of a Plutonium(III) Crown Ether Inclusion Complex
Inorganic Chemistry ( IF 4.3 ) Pub Date : 2021-05-28 , DOI: 10.1021/acs.inorgchem.1c00886 Kai Li 1 , Shuxian Hu 2 , Qing Zou 3 , Yugang Zhang 1 , Hailong Zhang 1 , Yuan Zhao 3 , Tong Zhou 3 , Zhifang Chai 1 , Yaxing Wang 1
Inorganic Chemistry ( IF 4.3 ) Pub Date : 2021-05-28 , DOI: 10.1021/acs.inorgchem.1c00886 Kai Li 1 , Shuxian Hu 2 , Qing Zou 3 , Yugang Zhang 1 , Hailong Zhang 1 , Yuan Zhao 3 , Tong Zhou 3 , Zhifang Chai 1 , Yaxing Wang 1
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We report the synthesis, single-crystal structure, solid-state ultraviolet–visible–near-infrared spectroscopy, and theoretical calculations on the first trivalent plutonium crown ether inclusion complex, [(H3O)(18-crown-6)][Pu(H2O)4(18-crown-6)](ClO4)4·2(H2O) (denoted as PuIII-18C6). Single-crystal X-ray diffraction reveals that PuIII-18C6 crystallizes in the orthorhombic space group of Pccn, which is assembled by independent ionic pairs including [Pu(H2O)4(18-crown-6)]3+, [(H3O)(18-crown-6)]+, and perchlorate anions. The plutonium atom is fully encapsulated within the cavity of the 18-crown-6, generating a distorted bicapped square antiprism geometry. The theoretical evaluation confirms that weak Pu–O dative bond is involved between PuIII ions with 18-crown-6. This work may deepen the understanding of the host–guest interactions between trivalent transuranic and macrocyclic ligands.
中文翻译：
钚 (III) 冠醚包合物的合成和表征
我们报告了第一个三价钚冠醚包合物[(H 3 O)(18-crown-6)]的合成、单晶结构、固态紫外-可见-近红外光谱和理论计算。Pu(H 2 O) 4 (18-crown-6)](ClO 4 ) 4 ·2(H 2 O)（记为Pu III -18C6）。单晶 X 射线衍射显示 Pu III -18C6 在 Pccn 的正交空间群中结晶，其由独立的离子对组装而成，包括 [Pu(H 2 O) 4 (18-crown-6)] 3+ , [ (H 3 O)(18-crown-6)]+和高氯酸根阴离子。钚原子完全封装在 18-crown-6 的空腔内，产生扭曲的双帽方形反棱镜几何结构。理论评估证实，Pu III离子与 18-crown-6之间存在弱的 Pu-O 配价键。这项工作可能会加深对三价超铀和大环配体之间主客体相互作用的理解。
更新日期：2021-06-21
中文翻译：
钚 (III) 冠醚包合物的合成和表征
我们报告了第一个三价钚冠醚包合物[(H 3 O)(18-crown-6)]的合成、单晶结构、固态紫外-可见-近红外光谱和理论计算。Pu(H 2 O) 4 (18-crown-6)](ClO 4 ) 4 ·2(H 2 O)（记为Pu III -18C6）。单晶 X 射线衍射显示 Pu III -18C6 在 Pccn 的正交空间群中结晶，其由独立的离子对组装而成，包括 [Pu(H 2 O) 4 (18-crown-6)] 3+ , [ (H 3 O)(18-crown-6)]+和高氯酸根阴离子。钚原子完全封装在 18-crown-6 的空腔内，产生扭曲的双帽方形反棱镜几何结构。理论评估证实，Pu III离子与 18-crown-6之间存在弱的 Pu-O 配价键。这项工作可能会加深对三价超铀和大环配体之间主客体相互作用的理解。
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