Electrochemical and electronic absorption spectroscopic studies of substituent effects in iron(IV) and manganese(IV) corroles. Do the compounds feature high-valent metal centers or noninnocent corrole ligands? Implications for peroxidase compound I and II intermediates

Journal of Physical Chemistry B

Volumn 105, Issue 46, 2001, Pages 11406-11413

  Steene, Erik ^a   Wondimagegn, Tebikie ^a   Ghosh, Abhik ^a  

^a UNIVERSITY OF TROMSØ   (Norway)

Author keywords

[No Author keywords available]

Indexed keywords

LIGANDS;

ABSORPTION SPECTROSCOPY; ANTIFERROMAGNETISM; CHARGE TRANSFER; COMPLEXATION; DIMERS; ELECTROCHEMISTRY; PROBABILITY DENSITY FUNCTION; SUBSTITUTION REACTIONS;

IRON COMPOUNDS;

EID: 0035936215     PISSN: 10895647     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp012037r     Document Type: Article

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34. 2d (CAT-I), one obtains a porphyrin π-cation radical description for CAT-I only when the proximal charge relay system consisting of hydrogen bonding interactions involving the axial tyrosinate ligand is accounted for in the calculations. Otherwise, one obtains a description involving an iron(IV)-oxo porphyrin with an axial tyrosinate radical.
35. 2d (CAT-I), one obtains a porphyrin π-cation radical description for CAT-I only when the proximal charge relay system consisting of hydrogen bonding interactions involving the axial tyrosinate ligand is accounted for in the calculations. Otherwise, one obtains a description involving an iron(IV)-oxo porphyrin with an axial tyrosinate radical.