Should bond-formation lag behind bond-cleavage in radical- exchange reactions?
作者： Asish K Chandra
DOI: 10.1007/BF02872601
关键词:
摘要: A few simple concerted radical-exchange reactions (A + BC →AB C) are examined by the quantum-mechanicalab initio methods via calculations of bond orders and energies. Results reveal that, during these reactions, a small free valence develops on migrating atom. As result, degree bond-cleavage is more advanced than that bond-formation with common atom at transition state. The fact lags behind also configuration mixing reactant configurations early stages reaction.
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