淀粉分子电子结构的量子化学研究(Ⅰ):结构单元、糖苷键和氢键的特性  

A Quantum Chemistry Research on Electronic Structure of Starch Molecules(Ⅰ):Characteristics of Basic Structure Unit,Indican Bond and Interior Hydrogen Bond

作　　者：龙剑英[1] 龙翔云[1] 叶国桢[1] 

机构地区：[1]广西大学化学化工学院,南宁市西乡塘路10号530004

出　　处：《广西科学》2002年第1期34-37,42,共5页Guangxi Sciences

摘　　要：运用量子化学计算研究淀粉分子的微观结构和化学键的性质。淀粉分子的反应活性中心为 C3位、 C2位和 C6位羟基 ,活性顺序是 C3位羟基 >C2位羟基 >C6位羟基。糖苷键的成键效应不大 ,反键效应较明显 ,糖苷键中 C- O键极性大 ,键级小 ,氧上带很多电荷。离子性明显 ,易受亲电试剂 (如氢离子 )的进攻。The microstructure and character of chemical bonds including indican bond and interior hydrogen bond of starch are investigated by quantum chemistry calculation The reaction active centers in starch are hydroxyls located at C2,C3 and C6 in dehydrated glucose The sequence of reactivity would be C3>C2>C6 The indican bond shows weaker covalence bond and obvious antibonding feature, and also has more ionic bond component It would be easily attacted by electrophile such as H + to make starch to be hydrolyzed

关 键 词：淀粉分子 结构单元 糖苷键 量子化学 计算 氢键 电子结构 

分 类 号：O636.12[理学—高分子化学] O641.121[理学—化学]