_f-A_aD_d型氢键体系的网络结构参数  

Statistical Parameters of Hydrogen Bonding Networks Formed in Solution of _f-A_aD_d Type

作　　者：李元峰[1] 王海军[1,2] 

机构地区：[1]河北大学化学与环境科学学院 [2]中国科学院国际材料物理中心沈阳110016

出　　处：《化学学报》2006年第7期657-661,共5页Acta Chimica Sinica

基　　金：国家自然科学基金(No.20303006);河北省自然科学基金(Nos.B2006000959;201072);河北省教育厅自然科学基金(No.2003101)资助项目.

摘　　要：利用溶胶-凝胶分配理论对氢键溶液的模型体系进行研究,给出了凝胶点后氢键网络中各结构参数的计算方案,并进行相应的数值计算.结果表明,因受体基团本身的性质及两类质子受体基团的数量比不同,受体基团的竞争作用对网络结构有明显影响,这提供了控制氢键网络结构特征的可能方法.Statistical parameters of the hydrogen bonded network formed in hydrogen bonding solutions were studied on the basis of sol-gel partition theory. With the proposed method, the theoretical and numerical results of these structural parameters were presented under the cases that there exist the activity differences between the proton donors. It was shown that the activity of proton donors has significant effect on the hydrogen bonded networks, and the competition between the proton donors could result in the loose or compact structures, providing a possible clue to control the hydrogen bonded networks.

关 键 词：氢键网络 结构参数 溶胶-凝胶相变 

分 类 号：O641.12[理学—物理化学]