ISSN:
1572-9001
Keywords:
Cesium
;
2-benzylphenol
;
Pi-cation interaction
;
extraction
;
molecular mechanics
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract Extraction experiments show that 2-benzylphenol is an efficient and selective extractant for cesium. The structures of cesium and potassium 2-benzylphenolate were determined. Both structures also contain 2-benzylphenol, which ligates the cation, through its phenolic oxygen atom and the benzyl ring. The phenolate oxygen atom does not directly contact the cation in either structure, but is a hydrogen-bond acceptor to the 2-benzylphenol ligands, forming a supramolecular assembly. For comparison to the bound ligands, the structure of 2-benzylphenol was also determined. Molecular mechanics and ab initio molecular orbital theory are used to rationalize several aspects of Cs/Na selectivity.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1023/A:1021884429538
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