1976 年 1976 巻 3 号 p. 543-545
The simple HMO approximation for an organic conjugated system was extended to include the coordination bond. As a measure of reactivity of methyl benzoate-metal complexes (the models for calculation) in the transesterification reaction, the superdelocalizability (SγN) for nucleophilic attack was calculated.
It was found that γN value (S5N) at a carbon atom in a carbonyl group was the largest for any metal ion. Plots of S5N values vs. logarithms of stability constants (log β1), presented by the author as a measure of the catalytic activity of the metal compound in the formative reaction of poly (ethylene terephthalate), of dibenzoyl methane-metal complexes gave a straight line.
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