Abstract

AbstractSince the introduction of non‐mechanical coupling model proposed by Cotton and Kraihanzel1‐3) for the calculation of nonrigorous carbonyl force constants of metal carbonyls, several criticisms4‐3) and modifications6‐13) on this simplified CO‐factored force field has been reported. Recently, a different approach of so‐called “maximum interaction model” was proposed by Chen and Hsiang14). However, we found that basic assumptions of this model are very shaky and questionable since three serious abnormal results could be noted as a result of maximum interaction between carbonyl groups. Here we would like to make some comments on this model.

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