Theoretical Probing of Size-Selective Crown Ether Macrocycle Ligands for Transplutonium Element Separation

Autor:	Yang Liu, Cong-Zhi Wang, Qun-Yan Wu, Jian-Hui Lan, Zhi-Fang Chai, Wang-Suo Wu, Wei-Qun Shi
Rok vydání:	2022
Předmět:	Inorganic Chemistry Physical and Theoretical Chemistry
Zdroj:	Inorganic Chemistry. 61:4404-4413
ISSN:	1520-510X 0020-1669
Popis:	Effective separation and recovery of chemically similar transplutonium elements from adjacent actinides is extremely challenging in spent fuel reprocessing. Deep comprehension of the complexation of transplutonium elements and ligands is significant for the design and development of ligands for the in-group separation of transplutonium elements. Because of experimental difficulties of transplutonium elements, theoretical calculation has become an effective means of exploring transplutonium complexes. In this work, we systematically investigated the coordination mechanism between transplutonium elements (An = Am, Cm, Bk, Cf) and two crown ether macrocyclic ligands [
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d9977519d5ed6c138cef89a330f36354 https://doi.org/10.1021/acs.inorgchem.1c03853 Zobrazit plný text záznamu