Reaction mechanism of porphyrin metallation studied by theoretical methods

Chemistry - A European Journal

Volumn 11, Issue 5, 2005, Pages 1549-1564

  Shen, Yong ^a,b   Ryde, Ulf ^a  

^a LUND UNIVERSITY   (Sweden)

^b SUN YAT SEN UNIVERSITY   (China)

Author keywords

Density functional calculations; Iron; Magnesium; Metalation; Porhyrinoids

Indexed keywords

AROMATIC HYDROCARBONS; ENZYMES; HYDROGEN BONDS; IONS; IRON; MAGNESIUM PRINTING PLATES; NITROGEN; PROBABILITY DENSITY FUNCTION; REACTION KINETICS;

METALLATION; NEUTRAL IMIDAZOLE MOLECULES; PORPHYRIN RINGS; PROTONATION;

PORPHYRINS;

CHELATE; COORDINATION COMPOUND; ENZYME; IMIDAZOLE DERIVATIVE; IRON; MAGNESIUM; METAL; NITROGEN; PORPHYRIN; PORPHYRIN DERIVATIVE; SOLVENT; WATER;

ARTICLE; DEHYDROGENATION; DENSITY FUNCTIONAL THEORY; HYDROGEN BOND; METAL BINDING; METALLATION; PROTON TRANSPORT; REACTION ANALYSIS; SOLVATION; TEMPERATURE; THERMODYNAMICS;

IRON; MAGNESIUM; METALLOPORPHYRINS; MODELS, CHEMICAL; MODELS, MOLECULAR; PORPHYRINS; THERMODYNAMICS;

EID: 14844323140     PISSN: 09476539     EISSN: None     Source Type: Journal    
DOI: 10.1002/chem.200400298     Document Type: Article

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