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 。
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]
出处
《高等学校化学学报》
SCIE
EI
CAS
CSCD
北大核心
2000年第12期1888-1891,共4页
Chemical Journal of Chinese Universities
基金
天津自然科学基金! (批准号 :990 99)资助
关键词
硝基麝香
AM1
结构
香气
香气化合物
量子化学
Nitro containing musk
Structural study
AM1
Structure odor relationship
