Two different coordination polyhedra in the crystal structure of a novel Zn(II) hybrid complex: DFT investigation, biological activities and emission properties

Salah, Thouraya; Ahmed, Ali Ben; Krayem, Najah; Guesmi, Ahlem; Hamadi, Naoufel Ben; Khezami, Lotfi; Naïli, Houcine; Hamdi, Besma

doi:10.1016/j.molstruc.2023.136863

Journal of Molecular Structure

2024

DOI: 10.1016/j.molstruc.2023.136863

|View full text |Cite

Two different coordination polyhedra in the crystal structure of a novel Zn(II) hybrid complex: DFT investigation, biological activities and emission properties

Thouraya Salah,

Ali Ben Ahmed,

Najah Krayem

et al.

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...

Citation Types

Supporting

Mentioning

Contrasting

Year Published

2024

2025

Publication Types

Select...

Article2

Relationship

Self Cite0

Independent2

Authors

Journals

Cited by 2 publications

References 76 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

A novel phosphate-based metal-organic framework: Synthesis and comprehensive structural characterization

Bouzidia,

Hamdi,

Capitelli

2025

Materials Research Bulletin

View full text Add to dashboard Cite

A novel phosphate-based metal-organic framework: Synthesis and comprehensive structural characterization

Bouzidia,

Hamdi,

Capitelli

2025

Materials Research Bulletin

View full text Add to dashboard Cite

Characterization of a New Hybrid Compound (C₃H₈N₆)₂ZnCl₄·2Cl: X-ray Structure, Hirshfeld Surface, Vibrational, Thermal Stability, Dielectric Relaxation, and Electrical Conductivity

Zaghden,

Ben Attia,

Abdelbaky

et al. 2024

ACS Omega

View full text Add to dashboard Cite

A novel organic−inorganic material (C 3 H 8 N 6 ) 2 ZnCl 4 •2Cl was synthesized via a slow evaporation approach and subjected to extensive characterization. Techniques involving X-ray diffraction, SEM/EDX, Hirshfeld surface examination, IR/Raman spectroscopy, thermal behavior (TG/DTG/SDTA and DSC), and electric and dielectric studies were applied. Examination of the crystal structure reveals that the synthesized material adopts a monoclinic system, particularly belonging to the P2 1 /c space group with unit cell parameters a = 11.7274(3) Å, b = 6.2155(2) Å, c = 25.7877(8) Å, β = 94.27(1)°, V = 1874.50(4) Å 3 , and Z = 4. Purity confirmation was established via powder X-ray diffraction analysis. Composition verification was conducted using semiquantitative EDXS analysis. The asymmetric unit comprises isolated tetrachlorozincate [ZnCl 4 ] 2− anions, two (C 3 H 8 N 6 ) 2+ organic cations, and two free chlorine atoms, forming a 0D anionic network. N−H•••Cl and N−H•••N hydrogen bonding combined to form a 2D hydrogen-bonded network, maintaining crystal stability. Hirshfeld surface analysis elucidated intermolecular interactions, supported by 2D fingerprint plots. IR and Raman spectra analysis corroborated compound characteristics at room temperature. Thermal analysis revealed two phase transitions at 343 and 358 K, consistent with dielectric studies. Impedance spectroscopy highlighted the compound's electrical properties, confirming thermal transitions. Conductivity studies exhibited an Arrhenius behavior. Frequency-dependent dielectric constant variations and modulus studies underscored grain and grain boundary effects, confirming the effective protonic conduction in the material.

show abstract

scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.

Contact Info

customersupport@researchsolutions.com

10624 S. Eastern Ave., Ste. A-614

Henderson, NV 89052, USA

This site is protected by reCAPTCHA and the Google Privacy Policy and Terms of Service apply.

Blog Terms and Conditions API Terms Privacy Policy Contact Cookie Preferences Do Not Sell or Share My Personal Information

Made with 💙 for researchers

Part of the Research Solutions Family.

Two different coordination polyhedra in the crystal structure of a novel Zn(II) hybrid complex: DFT investigation, biological activities and emission properties

Cited by 2 publications

References 76 publications

A novel phosphate-based metal-organic framework: Synthesis and comprehensive structural characterization

A novel phosphate-based metal-organic framework: Synthesis and comprehensive structural characterization

Characterization of a New Hybrid Compound (C₃H₈N₆)₂ZnCl₄·2Cl: X-ray Structure, Hirshfeld Surface, Vibrational, Thermal Stability, Dielectric Relaxation, and Electrical Conductivity

Contact Info

Product

Resources

About

Two different coordination polyhedra in the crystal structure of a novel Zn(II) hybrid complex: DFT investigation, biological activities and emission properties

Cited by 2 publications

References 76 publications

A novel phosphate-based metal-organic framework: Synthesis and comprehensive structural characterization

A novel phosphate-based metal-organic framework: Synthesis and comprehensive structural characterization

Characterization of a New Hybrid Compound (C3H8N6)2ZnCl4·2Cl: X-ray Structure, Hirshfeld Surface, Vibrational, Thermal Stability, Dielectric Relaxation, and Electrical Conductivity

Contact Info

Product

Resources

About

Characterization of a New Hybrid Compound (C₃H₈N₆)₂ZnCl₄·2Cl: X-ray Structure, Hirshfeld Surface, Vibrational, Thermal Stability, Dielectric Relaxation, and Electrical Conductivity