30-冠-10对生物极性客体的分子识别和分子开关  

Molecular Recognition and "On-off" Switching of 30-Crown-10 to Biological-polar Guest Molecules

作　　者：戚丽雅[1] 滕启文[1] 吴师[1] 刘铮铮[1] 

机构地区：[1]浙江大学化学系,杭州310027

出　　处：《高等学校化学学报》2005年第10期1909-1912,共4页Chemical Journal of Chinese Universities

摘　　要：用AM1,MNDO和PM3方法对30-冠-10与苯衍生物及其生物活性物质脱氧核糖、核糖和呋喃果糖的超分子配合物进行理论研究,得到配合物的稳定化能.结果表明,冠醚对极性客体具有识别作用,尤其对脱氧核糖的识别效果较好.用INDO/SC I方法计算超分子配合物的电子吸收光谱,计算结果表明,配合物的光谱吸收峰与主体相比发生蓝移.探讨了冠醚和间二苯甲酸配合物的分子开关的形成机理.Theoretical studies on the coordinations between 30-crown-10 and benzene derivatives, 2-deoxyribose, ribose or fructofuranose, are carried out with AM1, MNDO and PM3 methods and the stability energy is obtained. It is indicated that 30-crown-10 recognizes polar guests especially 2-deoxyribose. The electronic spectra of the complexes are computed by INDO/SCI method. The blue-shift of absorption peaks of electronic spectra for the complexes takes place compared with that of the host. The molecular “On-off” switching is designed and the potential curve of the proton transfer is calculated.

关 键 词：30-冠-10 2-脱氧核糖 分子识别 分子开关 

分 类 号：O641[理学—物理化学]