Synthesis, Crystal Structure, Hirshfeld Surface, and Physicochemical Characterization of New Salt Bis(2-ethyl-6-methylanilinium)tetrachloromercurate (II) [C9H14N]2HgCl4

Chaima Ayari,Mohamed Habib Mrad,Cherif Ben Nasr,Abdulhadi H Almarri,M G Althobaiti,Abdullah A Alotaibi,Valeria Ferretti,Marcelino Maneiro

doi:10.1155/2021/2857369

Chaima Ayari, Mohamed Habib Mrad + Show 6 more

Open Access

https://doi.org/10.1155/2021/2857369

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Abstract

In this paper, a new organic salt bis(2-ethyl-6-methylanilinium)tetrachloromercurate (II)) has been synthesized, characterized, and studied theoretically using DFT. The synthesized compound was found to crystallize in the monoclinic system with space group P21/c with the following unit cell parameters a = 23.1696(2), b = 25.7951 (6), c = 7.5980 (4) Å, β = 96.5790 (11)°, and Z = 8. Its atomic arrangement can be described asmutually alternating organic and inorganic entities in the (ab) plane. The cohesion is achieved through N-H…Cl hydrogen bonds and π…π stacking interacting neighboring aromatic cations. The PXRD was carried out. The intermolecular interactions in the crystal packing were investigated using Hirshfeld surface analysis. Its associated 2D fingerprint plots revealed their contribution quantitatively. High-resolution images of the surface were obtained by the SEM technique, and the EDX spectrum assured the existence of all nonhydrogen atoms. The infrared spectrum was used to gain more information about vibrational modes. Analysis of thermal differential and gravimetric (TGA/DTA) shows two-phase transitions observed at 362 and 394 K. AC conductivity measurements were performed to confirm these two-phase transitions.

Highlights

Concerning coordination chemistry, Hg (II) does not have a specific coordination number because it can adopt several coordination geometry numbers alternating from two to six due to the d10 configuration and the lack of stabilization of the field effects of the ligand [13, 14]. us, some compounds indicate that the Hg2+ ion has unusual coordination geometries, such as the geometry of the pseudocoordinate structure [15] and the heptacoordinate structure [16]
This work reports the synthesis of a new compound bis(2-ethyl-6-methylanilinium) tetrachloromercurate (II) [C9H14N]2HgCl4
We conclude that the synthesized bulk and the crystal data used for diffraction are homogenous

Summary

Experimental Procedures

E title compound bis(2ethyl-6-methylanilinium)tetrachloromercurate (II) was synthesized by acid-base reaction between the amine 2ethyl-6-methylaniline (C9H13N) and mercury (II) chloride. 0.28 mL of C9H13N (2 mmol) was dissolved in ethanol, drooped to a mixture of 0.275 g of mercury chloride (1 mmol), dissolved in a small amount of water and 10 mL of concentrated HCl, maintained under stirring for 30 minutes, and left to evaporate slowly at ambient temperature. E chemical reaction equation is as follows: HgCl2 + 2C9H13N + 2HCl ⟶ 􏼂C9H14N􏼃2HgCl4 + 12H2, (1). Pale brown plate crystals were obtained with good quality for single X-ray diffraction analysis. E elemental analysis of the prepared compound yielded that it comprises N: 4.35%/4.55%; C: 34.94%/35.14; and H: 4.23%/4.55% (exp./theor.)

Characterizations

Results and Discussion

C21 C22 C23