Physicochemical Insight into Coordination Systems Obtained from Copper(II) Bromoacetate and 1,10-Phenanthroline.

Ewelina Krejner,Rafał Kruszyński,Marcin Świątkowski,Tomasz Sierański,Marta Bogdan

doi:10.3390/molecules25225324

Abstract

Two different coordination compounds of copper were synthesized from the same building blocks (1,10-phenanthroline, bromoacetate anions, and copper cations). The synthesis parameters were carefully designed and evaluated to allow the change of the resulting compounds molecular structure, i.e., formation of mononuclear (bromoacetato-O,O’)(bromoacetato-O)aqua(1,10-phenanthroline-N,N’)copper(II) and dinuclear (μ-bromido-1:2κ2)bis(μ-bromoacetato-1κO,2κO’)bis(1,10-phenanthroline-N,N’)dicopper(II) bromoacetate bromoacetic acid solvate. The crystal, molecular and supramolecular structures of the studied compounds were determined and evaluated in Hirshfeld analysis. The UV-Vis-IR absorption and thermal properties were studied and discussed. For the explicit determination of the influence of compounds structure on radiation absorption in UV-Vis range, density functional theory and time-dependent density functional theory calculations were performed.

Highlights

The synthesis of coordination compounds with the intended structure is a challenging process [1,2].Metal centers can adopt diverse coordination numbers (c.n.) and may posses various oxidation states [3,4,5]
The larger concentration leads to partial decomposition of the bromoacetate ions due to the larger ionic strength of a solution and subsequently allows the formation of compound 2 in the synthesis S2
An increase in ionic strength allows the decomposition of bromoacetate ions and speeds up this process [17,18]

Summary

Introduction

The synthesis of coordination compounds with the intended structure is a challenging process [1,2]. Metal centers can adopt diverse coordination numbers (c.n.) and may posses various oxidation states [3,4,5]. A copper cation can create classical coordination compounds with the c.n. from 2 [6] to 8 [7], and with over a dozen of covalently bonded atoms for copper clusters [8]. = 6, and for six different ligands, 30 different isomers may be created. When the c.n. is higher, the number of possible isomers increases drastically. The copper usually exists in the form of Cu+ and

Methods

Results

Conclusion