Integrated structural, vibrational, thermal, and optical characterization of a zinc-based organic–inorganic hybrid with DFT and molecular docking insights into its biological properties

Hiba Khlifi; Mashael A. Alghamdi; Intissar Tababi; Hayet Edziri; Marwa Melliti; Ahlem Guesmi; Hossam H. Nasrallah; Noureddine Mhadhbi; Naoufel Ben Hamadi; Houcine Naïli

doi:10.1039/d6ra03131e

January 1, 2026RSC AdvancesOpen Access

Integrated structural, vibrational, thermal, and optical characterization of a zinc-based organic–inorganic hybrid with DFT and molecular docking insights into its biological properties

View Full Paper

Ask AI

Bookmark

Share

Key Points

The aim is to characterize a new zinc-based hybrid and explore its biological properties.
Synthesis and structural characterization of quinolinium–zinc hybrid.
Analysis using vibrational, thermal, and optical techniques.
Assessment of antibacterial and antibiofilm activity.
The zinc hybrid exhibits a stable H-bonded/π–π network.
Demonstrates indirect band gap behavior supported by DFT analysis.
Shows promising antibacterial and antibiofilm activity.

Implication

Integrated characterization reveals antibacterial potential in a zinc hybrid, suggesting its therapeutic applications.

Abstract

A quinolinium–zinc hybrid, (C 9 H 8 N) 2 [ZnCl 4 ]·2H 2 O, was synthesized and characterized. It shows a stable H-bonded/π–π network, indirect band gap behavior (DFT-supported), and promising antibacterial and antibiofilm activity.

Discussion

No takes yet. Share an insight, caveat, or question.

Cite This Study

Khlifi et al. (2026) studied this question.

synapsesocial.com/papers/6a05684ea550a87e60a20ca8 https://doi.org/10.1039/d6ra03131e

View Full Paper

Ask AI

Bookmark

Share

Integrated structural, vibrational, thermal, and optical characterization of a zinc-based organic–inorganic hybrid with DFT and molecular docking insights into its biological properties

Key Points

Implication

Abstract

Discussion

Cite This Study

Integrated structural, vibrational, thermal, and optical characterization of a zinc-based organic–inorganic hybrid with DFT and molecular docking insights into its biological properties

Key Points

Implication

Abstract

Discussion

Cite This Study

Keep reading

More related papers

More from RSC Advances

Keep reading

More related papers

More from RSC Advances