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Iron Porphyrins with Different Imidazole Ligands. A Theoretical Comparative Study

https://doi.org/10.1021/jp1052216
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Every reference with a DOI in the deposited reference list resolved to a known work in Crossref or DataCite at the dated check, and none carried a retraction, withdrawal, or removal notice.

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The 60 checked references that resolve
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The 6 references without a DOI — listed, not checked
no DOI — not checkedWe use Por to refer to any porphyrin, regardless of substituents.
no DOI — not checkedCoordination Compounds of Porphyrins and Phthalocyanines
no DOI — not checkedIron Porphyrins
no DOI — not checkedref7/cit7
no DOI — not checkedADF 2009.01; SCM: Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands, 2009; see alsohttp://www.scm.com.
no DOI — not checkedIt is stated in ref22that the change in L from 1-MeIm to 2-MeIm produces a ten-fold decrease in O2affinity to Fe; another ten-fold decrease occurs on replacing 2-MeIm with 1,2-Me2Im as the axial base. The latter trend is not supported by our calculations. In a more recent paper published by one of the same authors (ref24b), a figure shows a ten-fold decrease in the O2-bonding affinity from L = 1-MeIm to L = 1,2-Me2Im. This seems to indicate no change inEbond(Fe−O2) from L = 2-MeIm to L = 1,2-Me2Im.
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