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首页> 外文期刊>Acta crystallographica. Section C, Structural chemistry. >Low-dimensional coordination polymeric structures in alkali metal complex salts of the herbicide (2,4-dichlorophenoxy)acetic acid (2,4-D)
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Low-dimensional coordination polymeric structures in alkali metal complex salts of the herbicide (2,4-dichlorophenoxy)acetic acid (2,4-D)

机译：除草剂（2,4-二氯苯氧基）乙酸（2,4-D）的碱金属络合物盐中的低维配位聚合物结构

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摘要

The Li, Rb and Cs complexes with the herbicide (2,4-dichlorophenoxy)acetic acid (2,4-D), namely poly[[aqua[μ3-(2,4-dichlorophenoxy)acetato-κ3 O1:O1:O1']lithium(I)] dihydrate], {[Li(C8H5Cl2O3)(H2O)]·2H2O}n , (I), poly[μ-aqua-bis[μ3-(2,4-dichlorophenoxy)acetato-κ4 O1:O1':O1',Cl2]dirubidium(I)], [Rb2(C8H5Cl2O3)2(H2O)]n , (II), and poly[μ-aqua-bis[μ3-(2,4-dichlorophenoxy)acetato-κ5 O1:O1':O1',O2,Cl2]dicaesium(I)], [Cs2(C8H5Cl2O3)2(H2O)] n , (III), respectively, have been determined and their two-dimensional polymeric structures are described. In (I), the slightly distorted tetrahedral LiO4 coordination involves three carboxylate O-atom donors, of which two are bridging, and a monodentate aqua ligand, together with two water molecules of solvation. Conjoined six-membered ring systems generate a one-dimensional coordination polymeric chain which extends along b and interspecies water O-H?O hydrogen-bonding interactions give the overall two-dimensional layers which lie parallel to (001). In hemihydrate complex (II), the irregular octahedral RbO5Cl coordination about Rb+ comprises a single bridging water molecule which lies on a twofold rotation axis, a bidentate O carboxy,Cl-chelate interaction and three bridging carboxylate O-atom bonding interactions from the 2,4-D ligand. A two-dimensional coordination polymeric layer structure lying parallel to (100) is formed through a number of conjoined cyclic bridges, including a centrosymmetric four-membered Rb2O2 ring system with an Rb?Rb separation of 4.3312(5)?. The coordinated water molecule forms intralayer aqua-carboxylate O-H?O hydrogen bonds. Complex (III) comprises two crystallographically independent (Z' = 2) irregular CsO6Cl coordination centres, each comprising two O-atom donors (carboxylate and phenoxy) and a ring-substituted Cl-atom donor from the 2,4-D ligand species in a tridentate chelate mode, two O-atom donors from bridging carboxylate groups and one from a bridging water molecule. However, the two 2,4-D ligands are conformationally very dissimilar, with one phenoxyacetate side chain being synclinal and the other being antiperiplanar. The minimum Cs?Cs separation is 4.4463(5)?. Structure extension gives coordination polymeric layers which lie parallel to (001) and are stabilized by intralayer water-carboxylate O-H?O hydrogen bonds.
机译：Li，Rb和Cs与除草剂（2,4-二氯苯氧基）乙酸（2,4-D）形成复合物，即聚[[aqua [μ3-（2,4-二氯苯氧基）乙酸]-κ3O1：O1：O1 ']二水合锂（I）]，{[Li（C8H5Cl2O3）（H2O）]·2H2O} n，（I），聚[μ-水-双[μ3-（2,4-二氯苯氧基）乙酰基-κ4O1 ：O1'：O1'，Cl2]二ubi（I）]，[Rb2（C8H5Cl2O3）2（H2O）] n，（II）和聚[μ-水-双-[μ3-（2,4-二氯苯氧基）乙酰] -κ5O1：O1'：O1'，O2，Cl2]铯（I），[Cs2（C8H5Cl2O3）2（H2O）] n，（III）已分别确定，并描述了它们的二维聚合物结构。在（I）中，略微扭曲的四面体LiO4配位涉及三个羧基O原子供体，其中两个桥接，一个单齿水配体，以及两个溶剂化水分子。相连的六元环系统生成一维配位聚合物链，该链沿b延伸，且种间水O-H2O氢键相互作用产生了总体二维层，该层平行于（001）。在半水合物（II）中，关于Rb +的不规则八面体RbO5Cl配位包含一个在两个旋转轴上的桥连水分子，一个双齿O羧基，Cl-螯合相互作用和两个从2到3的桥连羧基O-原子键合相互作用。 4-D配体。平行于（100）的二维配位聚合物层结构是通过许多相连的环状桥形成的，包括一个中心对称的四元Rb 2 O 2环系统，其Rb 2 Rb的间距为4.3312（5）3。配位的水分子形成层内水合羧酸羧基O-H 2 O氢键。配合物（III）包含两个晶体学独立的（Z'= 2）不规则CsO6Cl配位中心，每个中心包含两个O-原子供体（羧酸根和苯氧基）和一个环取代的Cl-原子供体，来自2,4-D配体。一种三齿螯合模式，两个O原子供体来自桥接的羧酸盐基团，一个来自桥接水分子。然而，两个2，4-D配体在构象上非常不同，一个苯氧乙酸酯侧链是向斜的，另一个是反周平面的。最小Cs？Cs间距为4.4463（5）?。结构扩展得到配位聚合物层，该层平行于（001），并被层内水-羧酸O-H2O氢键稳定。

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