Synthesis, crystal structures, Hirshfeld surface analysis and physico-chemical characterization of two new ZnII and CdII halidometallates

Ali Rayes,Necmi Dege,Irene Ara,Brahim Ayed,Manel Moncer

doi:10.1007/s10854-021-05747-3

Abstract

Two new organic–inorganic hybrid materials, based on 1,3-CycloHexaneBis-(Methyl Amine), abbreviated CHBMA, namely (H2CHBMA)ZnCl4·2H2O (CP1) and (H2CHBMA)CdI4·2H2O (CP2), have been synthesized under mild conditions in acidic media and characterized by single-crystal X-ray diffraction, spectroscopic techniques (13C NMR, FTIR, RAMAN) and thermal analysis. The crystal structures of the two compounds were solved by single-crystal X-ray diffraction methods. Both compounds show a 3-dimensional supramolecular structure directed by various interactions between tetrahalidometallate anions (ZnCl42−, CdI42−), water molecule and organic cations (H2CHBMA)2+. For both compounds, the cyclohexane ring of the template cation is in a chair conformation with the methylammonium substituent in the equatorial positions and the two terminal ammonium groups in a cis conformation but with two different orientations (upward for CP1 and downward for CP2) which influences the supramolecular architecture of the two structures. Hirshfeld surface analysis and the associated two-dimensional finger print plots were used to explore and quantify the intermolecular interactions in the crystals.

Highlights

In recent years, hybrid compounds represent a novel class of materials that could combine both organic and inorganic components into a single material in the solid state [1, 2]
The cyclohexane ring of the template cation is in a chair conformation with the methylammonium substituent in the equatorial positions and the two terminal ammonium groups in a cis conformation but with two different orientations which influences the supramolecular architecture of the two structures
(H2CHBMA)ZnCl4Á2H2O, (CP1), and (H2CHBMA)CdI4Á2H2O, (CP2), have been synthesized by conventional methods under the acidic conditions supplied by hydrochloric acid and sulfuric acid, respectively

Summary

Introduction

Hybrid compounds represent a novel class of materials that could combine both organic and inorganic components into a single material in the solid state [1, 2]. The design and construction of these complexes have been attracted significant attention due to their fascinating structures and their promising applications in diverse fields such as catalysis [4,5,6], fluorescence and sensing [7], medicinal chemistry as pharmaceutical compounds [8, 9] In this case, the choice of organic amine ligand is especially significant in obtaining desirable materials, because the architecture of coordination complexes can be considerably impacted by the shape, symmetry, flexibility and the number of amine groups available for coordination. It is well known that structural geometry changes have an important impact on the properties of the final complexes [10]

Methods

Results

Conclusion