Quantum Chemical Study on a New Mechanism of One-carbon Unit Transfer Reaction: The Water-assisted Mechanism

• 来源期刊: 中国化学（英文版）
• 年，卷（期）: 2004,（6）
• 页码范围: 505-507
• 页数: 3页
• 语种: 英文

摘要

It is a theoretical study on the water-assisted mechanism of one-carbon unit transfer reaction, in which the energy barrier for each transition state lowered by about 80-100 kJ/mol when compared with the one in no-water-involved mechanism. The water-assisted path 4 is the favorite reaction way. Our results well explained the presumption from experiments.