Theoretical study on the interaction of sulfur- and aminopyridine- containing chelating resins with Hg(II) and Pb(II)

International Journal of Quantum Chemistry

Volumn 111, Issue 5, 2011, Pages 991-1001

  Niu, Yuzhong ^a   Feng, Shengyu ^a   Qu, Rongjun ^b   Ding, Yunqiao ^a   Wang, Dengxu ^a   Wang, Yike ^a  

^a SHANDONG UNIVERSITY   (China)

^b LUDONG UNIVERSITY   (China)

Author keywords

binding energy; chelating resin; DFT; interaction; NBO

Indexed keywords

2-AMINOPYRIDINE; AMINOPYRIDINES; CHELATING COMPOUND; CHELATING RESIN; COORDINATION MECHANISMS; CROSS-LINKED POLYSTYRENE; DFT; DONOR ATOMS; HG COMPLEXES; INTERACTION; LONE PAIR; METAL CATION; NATURAL BOND ORBITAL; NBO; ORBITALS; PB COMPLEXES; PERTURBATION ANALYSIS; SECOND ORDERS; SPACER ARMS; STRUCTURAL INFORMATION; SYNERGETIC EFFECT; THEORETICAL STUDY; TRIDENTATE LIGANDS;

ATOMS; BINDING ENERGY; CHARGE TRANSFER; CHELATION; COORDINATION REACTIONS; ION EXCHANGE; ION EXCHANGE RESINS; MERCURY (METAL); METAL IONS; METALS; NUCLEAR ENERGY; POLYSTYRENES; POTENTIAL ENERGY; SULFUR;

COMPLEXATION;

EID: 79551553130     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.22471     Document Type: Article

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