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• W1968242010 abstract "Infrared spectra of imidazole carbonyl complexes of 2,4-substituted hemes are presented. An increased CO stretch frequency is accompanied by a lowered FeC vibrational energy. Hartree-Fock-Slater electron structure calculations discern pi and sigma contributions to the observed shifts of vibrational energies. We conclude that an enhanced electron availability manifests itself as a lowered ferric/ferrous reduction potential, increased filling of the 2 pi orbital of liganded CO which in turn reduces nu CO and increases nu Fec, and increased basicity of the liganded CO. Analogies between CO liganded to heme and CO adsorbed onto metal surfaces are discussed." @default.
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• W1968242010 date "1985-12-01" @default.
• W1968242010 modified "2023-09-25" @default.
• W1968242010 title "The vibrational bands of carbon monoxide bound to hemes or metal surfaces" @default.
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• W1968242010 doi "https://doi.org/10.1016/0167-4838(85)90258-4" @default.
• W1968242010 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/4074747" @default.
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