Abstract
AbstractMinimal‐basis‐set gradient‐SCF calculations on oxomanganese porphyrin chloride in which the oxygen atom bridges a metal‐nitrogen bond (Cs structure) are reported. In comparison with the earlier reported results of similar calculations on a C4v structure, a lower energy is found for the Cs structure. Electronic and steric arguments are brought forward to explain available experimental information on the reactions of the complex with alkenes.
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