You are here

Computer-Aided Molecular Design of Bis-phosphine Oxide Lanthanide Extractants

TitleComputer-Aided Molecular Design of Bis-phosphine Oxide Lanthanide Extractants
Publication TypeJournal Article
Year of Publication2016
AuthorsMcCann, BW, De Silva, N, Windus, TL, Gordon, MS, Moyer, BA, Bryantsev, VS, Hay, BP
JournalInorganic Chemistry
Volume55
Pagination5787-5803
Date Published06
Type of ArticleArticle
ISBN Number0020-1669
Accession NumberWOS:000378369900014
Keywordsaqueous-solution, cambridge structural database, chelate ring size, chemistry, frequencies, metal-ions, mm3 force-field, normal-butyl phosphate, rare-earth-elements, solvation free-energies, solvent-extraction, vibrational
Abstract

effect. The design approach has identified a number of novel bis-phosphine oxide ligands that are better organized for lanthanide complexation than previously studied examples.

DOI10.1021/acs.inorgchem.5b02995
Custom 1

CMI

Alternate JournalInorg. Chem.