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1,2,3- and 1,2,4-Benzenetricarboxylic ligands: investigation of unusual 2D and 3D polymeric nets with potassium ion

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Abstract

The present work presents a description of two unusual polymeric nets containing potassium (I) and benzenetricarboxylic ligand with formula [K(C9H5O6)·H2O] (1) and [K(C9H5O6)·(H2O)2] (2). Their structures were solved by single crystal X-ray diffraction methods. The structural results suggest that the interactions between carboxylate groups and potassium ion have an ionic character and they are similar for both compounds. The study of the chemical bond between the oxygen and potassium atoms was performed for compound 2 through density functional theory calculations and confirmed that compound 2 is stabilized by ionic interactions, which can be associated analogously to compound 1. The organization of these interactions into crystal packing was investigated by program package TOPOS4.0. It was found that these interactions play an important role in the construction of the 3D and 2D polymeric net for both compounds.

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Acknowledgments

The authors acknowledge Coordination of Improvement of Higher Education Personnel (CAPES), Foundation for Research Support of Minas Gerais (FAPEMIG), and National Council for Scientific and Technological Development (CNPq) (Brazilian agencies) for financial support, and to LDRX (X-ray diffraction laboratory– UFF) and LabCri (Crystallography laboratory—UFMG) for X-ray facilities and CENAPAD-UFMG for computational facility support.

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  1. Departamento de Química - ICE, Universidade Federal de Juiz de Fora, Juiz de Fora, Minas Gerais, 36036-900, Brazil

    Chris Hebert J. Franco, Weberton R. do Carmo, Filipe B. de Almeida & Renata Diniz

  2. Departamento de Química - ICEx, Universidade Federal de Minas Gerais, Belo Horizonte, Minas Gerais, 31270-901, Brazil

    Heitor A. de Abreu

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  1. Chris Hebert J. Franco
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Correspondence to Renata Diniz.

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Franco, C.H.J., do Carmo, W.R., de Almeida, F.B. et al. 1,2,3- and 1,2,4-Benzenetricarboxylic ligands: investigation of unusual 2D and 3D polymeric nets with potassium ion. Struct Chem 26, 773–783 (2015). https://doi.org/10.1007/s11224-014-0537-9

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