Crystal structure, Hirshfeld surface analysis, Vibrational studies, Dielectric properties, and AC conductivity of Bis(carbamoyl-guanidine amidinourea salt) diaquatetrachlorocuprate (II)

被引:0
|
作者
Azouzi, Khaoula [1 ]
Hamdi, Besma [1 ]
Dgachi, Souad [2 ]
Oueslati, Abderrazek [3 ]
Nasr, Samia [4 ,5 ]
Ben Salah, Abdelhamid [1 ]
Naili, Houcine [2 ]
机构
[1] Univ Sfax, Fac Sci Sfax, Lab Mat Sci & Environm, Sfax, Tunisia
[2] Univ Sfax, Fac Sci Sfax, Dept Chim, Lab Phys Chim Etat Solide, BP 1171, Sfax 3000, Tunisia
[3] Univ Sfax, Fac Sci Sfax, Lab Spectroscop Characterizat & Opt Mat, Sfax, Tunisia
[4] King Khalid Univ, Fac Sci, Dept Phys, Adv Funct Mat & Optoelect Lab AFMOL, POB 9004, Abha, Saudi Arabia
[5] Preparatory Inst Engn Studies Kairouan, Electrochem Mat & Environm UREME 16ES021, Kairouan, Tunisia
关键词
Organic-inorganic hybrid material; Crystal structure; AC conductivity; DC conductivity; Dielectric properties; JAHN-TELLER DISTORTIONS; RELAXATION; COMPLEXES; STATE;
D O I
10.1016/j.molstruc.2022.134147
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
A new organic-inorganic hybrid compound Bis (carbamoyl-guanidine amidinourea salt) diaquatetrachlorocuprate (II) was successfully synthesized. X-ray diffraction measurements were determined. The compound crystallizes in the monoclinic system, space group P2(1)/n. The structural analysis demonstrated the presence of a layered arrangement perpendicular to the a-axis where plans formed by (C2H7N4O)(+) cations alternated with plans formed by [CuCl4(H2O)(2)](2-) anions. The Cu (II) ions were hexa-coordinated with distorted octahedron geometric configuration. The title compound exhibited a three-dimensional structure resulting from the interconnection of molecules through N-H center dot center dot center dot Cl, N-H center dot center dot center dot O, O-H center dot center dot center dot Cl and O-H center dot center dot center dot O hydrogen bonds. Hirshfeld surface analysis was carried out to explore the different inter molecular interactions. The two-dimensional fingerprint plot revealed the most prominent interactions in the compound. Infrared and Raman spectroscopic measurements were performed to confirm the results obtained by X-ray diffraction. The thermal behavior of the material was investigated by thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC). Furthermore, the material electrical properties were characterized through impedance spectroscopy technique in the frequency range 209 Hz-5 MHz and at a temperature ranging from 293 to 408 K. The impedance spectrum was characterized by the appearance of a single semicircle arc which indicated a non-Debye type of relaxation process occurring in the material. Besides, the alternating current (AC) conductivity of the compound was determined using Jonscher's law: The conduction could be attributed to the ion hopping mechanism. (C) 2022 Elsevier B.V. All rights reserved.
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页数:11
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