Department of Chemistry, Ben-Gurion University, Beer-Sheva, Israel.
J Am Chem Soc. 2011 Sep 14;133(36):14359-67. doi: 10.1021/ja203690k. Epub 2011 Aug 18.
Dendrimers with boronic ester end-groups and an iron porphyrin core were synthesized and characterized. The dendrimer termini were reversibly exchanged by the addition of appropriate diol molecules. According to molecular dynamics (MD) simulations, the exchange of termini may lead to changes in the conformational behavior of the dendrimer, specifically regarding the average position of the end groups relative to the core. The spatial steric disposition attained with different termini was shown to significantly affect epoxidation reaction activity and selectivity with various alkenes, thus allowing for an original way to control and adjust catalytic behavior under alternating environments.
具有硼酸酯端基和铁卟啉核的树枝状大分子被合成并进行了表征。通过添加适当的二醇分子,树枝状大分子的端基可以进行可逆交换。根据分子动力学(MD)模拟,端基的交换可能导致树枝状大分子构象行为的变化,特别是关于端基相对于核心的平均位置。不同端基的空间位阻配置被证明会显著影响各种烯烃的环氧化反应活性和选择性,从而为在交替环境下控制和调节催化行为提供了一种新颖的方法。