The Coordination Behavior of Two New Complexes, [(C7H10NO2)CdCl3]n(I) and [(C7H9NO2)CuCl2] (II), Based on 2,6-Dimethanolpyridine; Elaboration of the Structure and Hirshfeld Surface, Optical, Spectroscopic and Thermal Analysis.

Sabrine Hermi,M G Althobaiti,Cherif Ben Nasr,Christian Jelsch,Abdullah M Alswieleh,Khalid M Alotaibi,Mohamed Habib Mrad,Abdullah A Alotaibi,Emmanuel Wenger

doi:10.3390/ma15051624

Abstract

Two novel complexes, [(C7H10NO2)CdCl3]n(I) and [(C7H9NO2)CuCl2],havebeen synthesized and characterized. Single crystal X-ray diffraction revealed that in compound (I), 2,6-dimethanol pyridinium acts as a monodentate ligand through the O atom of the hydroxyl group. Contrarily, the 2,6-dimethanol pyridine ligand interacts tridentately with the Cu(II) ion via the nitrogen atoms and the two oxygen (O, O’) atoms of the two hydroxyl groups. The structure’s intermolecular interactions were studied using contact enrichment ratios and Hirshfeld surfaces. Following metal coordination, numerous hydrogen connections between entities and parallel displacement stacking interactions between pyridine rings dictate the crystal packing of both compounds. The aromatic cycles generate layers in the crystal for both substances. Powder XRD measurements confirmed the crystalline sample phase purity. SEM confirmed the surface homogeneity, whereas EDX semi-quantitative analysis corroborated the composition. IR spectroscopy identified vibrational absorption bands, while optical UV-visible absorption spectroscopy investigated optical properties. The thermal stability of the two materials was tested using TG-DTA.

Highlights

Coordination compounds based on aromatic acids have sparked huge interest due to their fascinating geometrical properties as well as their intriguing applications in a variety of fields, such as the fields of catalysis, gas storage, and biochemistry
Compounds based on cadmium (II) and copper (II) offer a potential class of materials with different structural patterns [12–22]
Chemists are interested in cadmium-based hybrid complexes because of their structural flexibility, which is connected to the variety of coordination numbers and geometries of the Cd cation relying on crystalline packing and ligands

Summary

Introduction

Coordination compounds based on aromatic acids have sparked huge interest due to their fascinating geometrical properties as well as their intriguing applications in a variety of fields, such as the fields of catalysis, gas storage, and biochemistry. The choice of the metal and the ligand is critical in generating the desired compound with developed physicochemical characteristics In this regard, compounds based on cadmium (II) and copper (II) offer a potential class of materials with different structural patterns [12–22]. Among the different aromatic ligands, pyridine-2,6-dimethanol has received great interest in chemistry because of its varied chelating properties [31–35] It is a flexible poly functional ligand due to the availability of multiple donor sites that may coordinate with metals in neutral, monoanionic or dianionic forms. We present the structural characteristics given by X-ray diffraction, Hirshfeld surface analysis, the vibrational modes observed byFT-IR, optical properties and thermal properties according to the TG-DTA coupling

Synthesis of Metal Complexes

Investigation Techniques

Spectroscopic Measurements

Vibrational Study

Findings

Thermal Analysis