Development and Computational Modeling of Novel Bifunctional Organophosphorus Extractants for Lanthanoid Separation

Autor:	Fumiyuki Nakashio, Satoshi Matsumoto, Katsutoshi Inoue, Kazuharu Yoshizuka, Masahiro Goto, Kazuya Uezu
Rok vydání:	1999
Předmět:	Lanthanide Process Chemistry and Technology General Chemical Engineering Extraction (chemistry) Inorganic chemistry chemistry.chemical_element Filtration and Separation General Chemistry Samarium chemistry.chemical_compound chemistry Molecule Molecular orbital Bifunctional Solvent extraction
Zdroj:	Separation Science and Technology. 34:2125-2139
ISSN:	1520-5754 0149-6395
DOI:	10.1081/ss-100100760
Popis:	Novel organophosphorus extractants, which have two functional groups in the molecular structure, have been developed for the separation of lanthanoids using the liquid-liquid extraction technique. The separation efficiency and extractability of the novel extractants were investigated for nine lanthanoids. These bifunctional extractants have an extremely high extractability to all the lanthanoids compared to those of commercially available organophosphorus extractants. Two isomers having an identical chemical formulation show significantly different behaviors in lanthanoid extraction. This means that the extraction and separation abilities are quite sensitive to the structure of the spacer connecting the two functional groups. We also discuss the experimental results with a computational modeling by means of molecular mechanics and semiempirical molecular orbital methods. The novel molecular mechanics (MM) calculation program MOMEC enables us to analyze the stable conformation of a series of lanthanoid com...
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::39d54950a9d7853397a804a29141d7a5 https://doi.org/10.1081/ss-100100760 Zobrazit plný text záznamu