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Cooperativity in O2Binding to Iron Porphyrins

✍ Scribed by James P. Collman, John I. Brauman, Eric Rose and Kenneth S. Suslick

Book ID
123654954
Publisher
National Academy of Sciences
Year
1978
Tongue
English
Weight
656 KB
Volume
75
Category
Article
ISSN
0027-8424

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Minimum-energy structures of O , CO, and NO iron᎐porphyrin FeP 2 complexes, computed with the Car᎐Parrinello molecular dynamics, agree well with the available experimental data for synthetic heme models. The diatomic molecule induces a ˚Ž . 0.3᎐0.4 A displacement of the Fe atom out of the porphyrin