Structural, molecular mechanics, and DFT study of cadmium(II) in its crown ether complexes with axially coordinated ligands, and of the binding of thiocyanate to cadmium(II)

Inorganica Chimica Acta

Volumn 362, Issue 4, 2009, Pages 1122-1128

  Harrington, James M ^a   Jones, S Bart ^a   VanDerveer, Donald J ^b   Bartolotti, Libero J ^c   Hancock, Robert D ^a  

^a UNIVERSITY OF NORTH CAROLINA WILMINGTON   (United States)

^b CLEMSON UNIVERSITY   (United States)

^c EAST CAROLINA UNIVERSITY   (United States)

Author keywords

Cadmium; Crown ethers; Density functional theory; Relativistic effects; Thiocyanate; Thiourea

Indexed keywords

CADMIUM; CADMIUM CHLORIDE; CROWN ETHERS; DENSITY FUNCTIONAL THEORY; ETHERS; LIGANDS; MOLECULAR MECHANICS; RELATIVITY; THIOUREAS;

COORDINATED LIGANDS; COORDINATED WATER; COVALENTLY BOUND; GAS-PHASE STRUCTURES; LINEAR STRUCTURES; MOLECULAR MECHANICS CALCULATIONS; RELATIVISTIC EFFECTS; THIOCYANATE;

CHLORINE;

EID: 59649095266     PISSN: 00201693     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ica.2008.05.031     Document Type: Article

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