On the stability of metal-aminoacid complexes in water based on water-ligand exchange reactions and electronic properties: Detailed study on iron-glycine hexacoordinated complexes

Journal of Computational Chemistry

Volumn 31, Issue 15, 2010, Pages 2735-2745

  Mandado, Marcos ^a   Cordeiro, M Natália D S ^a,b  

^a UNIVERSITY OF VIGO   (Spain)

^b UNIVERSITY OF PORTO   (Portugal)

Author keywords

density functional theory; electron density; glycine; iron complexes

Indexed keywords

AMINO NITROGEN; BIDENTATE LIGANDS; COMPLEX FORMATIONS; ELECTRON DENSITIES; ELECTRON DENSITY; ELECTRON TRANSFER; ELECTRONIC ENERGIES; EXCHANGE PROCESS; GLYCINE; GLYCINE MOLECULE; IRON CATIONS; IRON COMPLEXES; LIGAND EXCHANGE REACTIONS; LIGAND EXCHANGES; MONODENTATES; STABILIZING FACTORS; WATER BASED;

AMINO ACIDS; CARRIER CONCENTRATION; COMPLEXATION; DENSITY FUNCTIONAL THEORY; ELECTRON DENSITY MEASUREMENT; ELECTRONIC PROPERTIES; ELECTRONS; LIGANDS; THERMODYNAMIC STABILITY;

IRON COMPOUNDS;

CATION; GLYCINE; IRON; LIGAND; NITROGEN; ORGANOMETALLIC COMPOUND; OXYGEN; SOLVENT; WATER;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; ELECTRON; THERMODYNAMICS;

CATIONS; ELECTRONS; GLYCINE; IRON; LIGANDS; MODELS, MOLECULAR; NITROGEN; ORGANOMETALLIC COMPOUNDS; OXYGEN; SOLVENTS; THERMODYNAMICS; WATER;

EID: 78149462536     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21567     Document Type: Article

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