Anion dependent water clusters encapsulated inside a cryptand cavity
Anion dependent water clusters encapsulated inside a cryptand cavity
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DOI：
10.1021/cg800292e
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发表时间：
2008-10-01
影响因子：
3.8
通讯作者：
Lu, Tong-Bu
中科院分区：
文献类型：
--
作者：
Li, Yu;Jiang, Long;Lu, Tong-Bu
在[(H2O)(2)子集(H6L)][H_2PO_4](6)(H_2O)(3)(1中心点~3H(2)O)，[(H_2O)(3)子集(H_6L)][H_2PO_4](6)(H_2O)(11)(2中心点11H(2)O)，[(H2O)(3)子集(H6L)][CH3(C(6)H(4-)p)SO3](6)(H2O)(4)(3中心点4H(2)O)和[(H2O)(6)子集(H6L)][SO4](3)(H2O)(13)(4中心点13H(2)O)(L=N[(CH2)(2)NHCH2(C6H4-p)CH2NH(CH2)(2)](3)N)。在1和2中，H6L6+通过质子化的氮原子与六个H2PO4-形成氢键，在H6L6+的两极形成两个(O中心点H-N-H中心点中心点)3个环。在1中形成了包覆良好的水二聚体和环状和笼状的[H_2PO_4](3)三聚体。在2中形成了包覆良好的圆形水三聚体和碗状的[H_2PO_4](3)三聚体。在3中，(CH3(C_6H_4-p)SO_3](-)的甲苯基的立体效应引起了H_6L6+的构象变化，为线形水三聚体在晶胞腔内的形成提供了有利的环境。在4中，H6L6+通过一极的质子化氮原子将三个SO42-离子键合在一起，在洞穴内形成了一个准棱柱状的六角体水团簇。
A series of water clusters encapsulated inside a cryptand cavity were obtained in the cryptand-acid supramolecular adducts of [(H2O)(2)subset of(H6L)][H2PO4](6)(H2O)(3) (1 center dot 3H(2)O), [(H2O)(3)subset of(H6L)][H2PO4](6)(H2O)(11) (2 center dot 11H(2)O), [(H2O)(3)subset of(H6L)][CH3(C(6)H(4-)p)SO3](6)(H2O)(4) (3 center dot 4H(2)O), and [(H2O)(6)subset of(H6L)][SO4](3)(H2O)(13) (4 center dot 13H(2)O) (L = N[(CH2)(2)NHCH2(C6H4-p)CH2NH(CH2)(2)](3)N). In 1 and 2, H6L6+ is hydrogen bonded to six H2PO4- through its protonated nitrogen atoms to form two (O center dot center dot center dot H-N-H center dot center dot center dot)3 rings at two poles of H6L6+. A well encapsulated water dimer, and a circle- and cage-shaped trimer of [H2PO4](3) are formed in 1. A well encapsulated circular water trimer and a bowl-shaped trimer of [H2PO4](3) are formed in 2. In 3, the steric effect of the tolyl group of (CH3(C6H4-p)SO3](-) causes a change in the conformation of H6L6+ to generate a favorable environment for a linear water trimer inside the crystand cavity. In 4, H6L6+ bonds three SO42- anions through the protonated nitrogen atoms at the one pole, and a quasi-prismatic hexamer water cluster is formed inside the cryptand cavity.