Influence of ligand composition on crystal structure formation – isostructurality and morphotropism,CrystEngComm

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Influence of ligand composition on crystal structure formation – isostructurality and morphotropism
CrystEngComm ( IF 2.6 ) Pub Date : 2020-11-25 , DOI: 10.1039/d0ce01302a
Mihails Arhangelskis _{1,

2,

3,

4} , Luc Van Meervelt _{1,

5,

6,

7,

8} , Liliana Dobrzańska _{4,

9,

10,

11}

Affiliation

Two new Ag(I) complexes with 1,3-bis(imidazol-1-ylmethyl)benzene (L1) and 1,3-bis(imidazol-1-ylmethyl)-5-methylbenzene (L2), namely {[AgL1]CF₃SO₃}_n (1) and {[AgL2]CF₃SO₃}_n (2), were synthesised and characterised by SCXRD to uncover the effect that introducing a methyl group to the benzene core of the ligand has on the molecular/crystal structure of the metal complex. The studies revealed a high level of isostructurality of the formed Ag(I) complexes, consisting of 1D cationic chains with the charge neutralised by the counterions applied. These results triggered structural investigations of the parent ligands, which, as revealed by SCXRD, crystallise as dihydrates in different space groups of a monoclinic system. Further analyses revealed that the motifs in their molecular packing in general stay the same. However, some morphotropic/positional adjustments are taking place in L2 to accommodate the presence of the methyl substituent.

中文翻译：

配体组成对晶体结构形成的影响–同构性和同向性

与1,3-双（咪唑-1-基甲基）苯（L1）和1,3-双（咪唑-1-基甲基）-5-甲基苯（L2）的两个新的Ag（I）配合物，即{[Ag L1合成并通过SCXRD表征] CF ₃ SO ₃ } _n（1）和{[Ag L2 ] CF ₃ SO ₃ } _n（2），以揭示将甲基引入配体的苯核具有的作用。金属络合物的分子/晶体结构。研究表明所形成的Ag（I）配合物，由一维阳离子链组成，电荷被所施加的抗衡离子中和。这些结果触发了对母体配体的结构研究，正如SCXRD所揭示的，它们在单斜晶系系统的不同空间群中以二水合物的形式结晶。进一步的分析表明，它们分子包装中的基序通常保持不变。但是，在L2中进行了一些形态/位置调整以适应甲基取代基的存在。

更新日期：2020-11-25

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