Journal of the American Chemical Society

Radical chain mechanisms for alkyl rearrangement in organocobalt complexes

EG Samsel, JK Kochi

文献索引：Samsel, E. G.; Kochi, J. K. Journal of the American Chemical Society, 1986 , vol. 108, # 16 p. 4790 - 4804

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被引用次数: 32

摘要

Conclusion High-level ab initio calculations have been carried out for complexes of eleven anions with water. Inclusion of diffuse functions, the correlation energy, and zero-point corrections provide favorable comparisons with available experimental data on gasphase acidities and single molecule hydration enthalpies. The present results also yielded detailed structural characterization of the complexes, recognition of trends for both structure and ...