淀粉分子电子结构的量子化学研究(Ⅱ):碎片分子轨道计算及结构单元间的相互作用  

A Quantum Chemistry Research on Electronic Structure of Starch Molecules(Ⅱ): Fragment Molecular Orbital Calculation, Interaction between Structure Units

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38-42,共5页Guangxi Sciences

摘　　要：运用量子化学的碎片分子轨道计算方法研究淀粉结构单元间的相互作用。结果表明 ,各结构单元的分子轨道大多定域在自身范围内。结构单元间的相互作用集中在连接两环的成键性较弱的糖苷键上。Interaction between structure units in starch is studied by means of molecular orbital calculation for molecule fragments It is clear that increasing the number of dehydrated glucose units has little effect on properties of reaction active centres owing to the weaker interaction between basic structure unit in dehydrated glucose chain of starch, The interaction mostly takes place on weaker indican bond because of many orbitals of each fragment located in the structure unit

关 键 词：淀粉 结构单元 相互作用 碎片分子轨道计算方法 量子化学 

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