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氢键在使用三齿N，N，O供体还原席夫碱配体和桥连乙酸盐构建锌基配位聚合物结构中的关键作用。

The crucial role of hydrogen bonding in shaping the structures of zinc-based coordination polymers using tridentate N, N, O donor reduced Schiff base ligands and bridging acetates.

作者信息

Middya Puspendu, Frontera Antonio, Chattopadhyay Shouvik

机构信息

Department of Chemistry, Jadavpur University Kolkata 700032 India

Department of Chemistry, Universitat de les Illes Balears Crta de Valldemossa km 7.5 07122 Palma de Mallorca (Baleares) Spain

出版信息

RSC Adv. 2024 Apr 26;14(20):13905-13914. doi: 10.1039/d4ra00550c. eCollection 2024 Apr 25.

DOI:10.1039/d4ra00550c
PMID:38681845
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11049752/
Abstract

In this manuscript we report the synthesis and characterization of two new polynuclear zinc(ii) complexes, [ZnL(μ-OAc)]·HO (1) and [ZnL(μ-OAc)] (2) using two tridentate ligands, HL {4-chloro-2-(((2-(methylamino)ethyl)amino)methyl)phenol} and HL {2,4-dibromo-6-(((3-(methylamino)propyl)amino)methyl)phenol}. The structures were confirmed by single-crystal X-ray diffraction analysis. Both complexes form 1D chains. The energy of H-bonding interaction in the solid state structures of the complexes has been estimated by DFT calculation and the crucial role of hydrogen bonding in shaping their structures has been highlighted.

摘要

在本手稿中，我们报道了使用两种三齿配体HL {4-氯-2-(((2-(甲氨基)乙基)氨基)甲基)苯酚}和HL {2,4-二溴-6-(((3-(甲氨基)丙基)氨基)甲基)苯酚}合成并表征了两种新型多核锌(ii)配合物，[ZnL(μ-OAc)]·HO (1)和[ZnL(μ-OAc)] (2)。通过单晶X射线衍射分析确定了结构。两种配合物均形成一维链。通过密度泛函理论计算估计了配合物固态结构中氢键相互作用的能量，并强调了氢键在塑造其结构中的关键作用。

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