Electronic configuration assignment and the importance of low-lying excited states in high-spin imidazole-ligated iron(II) porphyrinates

Journal of the American Chemical Society

Volumn 127, Issue 15, 2005, Pages 5675-5688

  Hu, Chuanjiang ^a   Roth, Arne ^a   Ellison, Mary K ^a   An, Jin ^a   Ellis, Christina M ^b   Schulz, Charles E ^b   Scheidt, W Robert ^a  

^a UNIVERSITY OF NOTRE DAME   (United States)

^b KNOX COLLEGE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CONFORMATIONS; GROUND STATE; HAMILTONIANS; MAGNETIC FIELD EFFECTS; PORPHYRINS; THERMAL EFFECTS;

DEOXYHEMOGLOBIN; DEOXYMYOGLOBIN; ELECTRONIC CONFIGURATION ASSIGNMENT; IMIDAZOLE-LIGATED IRON(II) PORPHYRINATES;

IRON COMPOUNDS;

DEOXYHEMOGLOBIN; FERROUS ION; HEMOPROTEIN; IMIDAZOLE; PORPHYRIN DERIVATIVE;

ARTICLE; DATA ANALYSIS; MAGNETIC FIELD; MATHEMATICAL PARAMETERS; MOSSBAUER SPECTROSCOPY; PREDICTION; STRUCTURE ANALYSIS; SYNTHESIS; TEMPERATURE DEPENDENCE;

BIOMIMETIC MATERIALS; CRYSTALLOGRAPHY, X-RAY; FERROUS COMPOUNDS; HEMEPROTEINS; IMIDAZOLES; METALLOPORPHYRINS; MOLECULAR STRUCTURE; MYOGLOBIN;

EID: 17644392758     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja044077p     Document Type: Article

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