当前位置: X-MOL 学术Cryst. Growth Des. › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
Urea-Based Macrocycle Selective for Sulfate and Structurally Sensitive to Water
Crystal Growth & Design ( IF 3.2 ) Pub Date : 2020-05-27 , DOI: 10.1021/acs.cgd.0c00411
Sandeep Kaur 1 , Victor W. Day 1 , Kristin Bowman-James 1
Affiliation  

An unsymmetrical semirigid tetraurea macrocycle, 1, selectively traps SO42– with high affinity in a 0.5% water:DMSO-d6 solution (Ka = 90,500 M–1). The macrocycle displays somewhat less affinity for HSO4 (Ka = 68,600 M–1), while Ka’s for OAc and H2PO4 are approximately half that seen for SO42– (49,800 and 52,600 M–1, respectively). Cl binds weakly (Ka = 3430 M–1), and essentially no affinity is observed for NO3. Structural results for the SO42– and Cl complexes indicate 1:1 1:anion complexes, with encapsulation of the SO42– but not for Clion, which hovers at the macrocyclic periphery. For the ditopic biphenyl-4,4′-dicarboxylate, each carboxylate binds to its own macrocycle in a sandwich-like mode, which shows a 2:1 1:dianion association. Binding studies indicate 1:1 binding for the monotopic anions in the 0.5% water:DMSO-d6 solutions, but as the water content of the solvent is increased, the binding mode changes to a 2:1 1:anion association according to the binding studies in solution. Binding studies indicate that 1 maintains a significant tolerance for water up to 1:1 mixtures of water:DMSO-d6.

中文翻译:

基于尿素的对硫酸盐的大环选择性,对水结构敏感

一个不对称的半刚性四脲大环1选择性地以高亲和力将SO 4 2–捕集在0.5%的水:DMSO- d 6溶液(K a = 90,500 M –1)中。大环显示器稍差亲和力HSO 4 - ķ一个= 68600中号-1),而ķ一个的用于OAC -和H 2 PO 4 -大致一半看到了SO 4 2-(49800和52600中号- 1)。Cl 结合弱(K a = 3430 M –1),并且基本上没有观察到对NO 3 –的亲和力。SO 4 2–和Cl 配合物的结构结果表明为1:1 1:阴离子配合物,并带有SO 4 2–的包封,而Cl 离子则没有,它徘徊在大环外围。对于双位的4,4'-二羧酸联苯酯,每种羧酸盐以三明治样模式结合到其自身的大环上,显示出2:1 1:二价阴离子缔合。结合研究表明0.5%的水:DMSO- d 6中的单位阴离子具有1:1的结合溶液,但是随着溶剂中水含量的增加,根据溶液中的结合研究,结合模式变为2:1 1:阴离子缔合。结合研究表明1维持对水:DMSO- d 6的1:1混合物的显着耐受性。
更新日期:2020-07-01
down
wechat
bug