【摘要】 AM1法计算结果表明 ,4个麝香香气化合物的晶体结构与其最稳定结构符合得相当好 .以稳定结构为基础研究总结其典型结构特征 ,用麝香香气分子共平面模型对其香气性能作了合理解释更多还原

【Abstract】 Based on the energy minimization by AM1 method the stable structures of the four nitro containing musk compounds(1—4) are obtained and compared with their crystal structures. It is confirmed that the stable structures are accordant with their crystal structures. According to the study on the stable structures the typical characteristics in the four musk compounds were proposed. The musk odor activity of the four compounds and a compound(5) with similar structure but odorless are explained reasonably by using the co planar molecular model. [WT5HZ]更多还原