A DFT analysis of the effect of chelate ring size on metal ion selectivity in complexes of polyamine ligands

Polyhedron

Volumn 52, Issue , 2013, Pages 284-293

  Hancock, Robert D ^a   Bartolotti, Libero J ^b  

^a UNIVERSITY OF NORTH CAROLINA WILMINGTON   (United States)

^b EAST CAROLINA UNIVERSITY   (United States)

Author keywords

Chelate ring size effects; DFT calculations; Formation constants; Ligand design; Ligand selectivity; Polyamine ligands

Indexed keywords

CHELATION; COPPER COMPOUNDS; DENSITY FUNCTIONAL THEORY; DESIGN FOR TESTABILITY; GASES; METAL IONS; RELATIVITY; THERMODYNAMICS;

CHELATE RING; CHELATE RING SIZE EFFECT; DFT CALCULATION; FORMATION CONSTANTS; LIGAND DESIGN; LIGAND SELECTIVITY; METALS IONS; POLYAMINE LIGANDS; RING SIZE EFFECTS; RING SIZES;

LIGANDS;

EID: 84875436021     PISSN: 02775387     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.poly.2012.09.031     Document Type: Article

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