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Updated: Oct 11, 2025
![[DPEPhosbcpCu]PF6: A General and Broadly Applicable Copper-Based Photoredox Catalyst](/_next/image?url=https%3A%2F%2Fcloudfront.jove.com%2FCDNSource%2Fteasers%2F59739.jpg&w=3840&q=50)
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[DPEPhosbcpCu]PF6: A General and Broadly Applicable Copper-Based Photoredox Catalyst
Published on: May 21, 2019
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Synthesis, characterization, and computational study of copper bipyridine complex [Cu (C18H24N2) (NO3)2] to explore
Saleh S Alarfaji1, Sajjad Hussain2, Abdullah G Al-Sehemi1
1Department of Chemistry, College of Science, King Khalid University, Abha 61413, P.O. Box 9004, Saudi Arabia.
Zeitschrift Fur Naturforschung. C, Journal of Biosciences
|December 2, 2021
Summary
This study synthesized and characterized a novel copper (II) complex, investigating its optoelectronic properties and potential antiviral activity against SARS-CoV-2. The complex shows promising nonlinear optical characteristics and significant binding affinity to the spike protein.
Area of Science:
- Coordination Chemistry
- Materials Science
- Computational Chemistry
Background:
- Copper (II) complexes with bipyridine ligands are explored for diverse applications.
- Understanding the structure-property relationships of such complexes is crucial for materials design.
- Investigating novel complexes for optoelectronic and biological applications is an active research area.
Purpose of the Study:
- To synthesize and characterize a new copper (II) complex with 4,4'-di-tert-butyl-2,2'-bipyridine.
- To evaluate the optoelectronic and nonlinear optical properties of the synthesized complex.
- To assess the potential antiviral activity of the complex against SARS-CoV-2 proteins.
Main Methods:
- Synthesis and characterization via elemental analysis, infrared spectroscopy, and single-crystal X-ray diffraction.
- Thermal analysis (TGA) to determine thermal stability.
- Quantum chemical calculations (DFT) for optoelectronic and nonlinear optical properties.
- Molecular docking simulations to predict binding interactions with SARS-CoV-2 proteins.
Main Results:
- The copper (II) complex, [Cu(C18H24N2)(NO3)2] (1), was successfully synthesized and characterized, crystallizing in the orthorhombic space group P212121.
- The complex exhibits significant nonlinear optical properties, with a static hyperpolarizability several times larger than para-nitroaniline.
- Molecular docking revealed strong binding affinity to the SARS-CoV-2 spike protein (-9.60 kcal/mol) compared to the main protease (-9.10 kcal/mol).
Conclusions:
- The synthesized copper (II) complex demonstrates promising optoelectronic characteristics.
- The complex shows potential as an antiviral agent, particularly against the SARS-CoV-2 spike protein.
- This study highlights the potential of novel coordination complexes in advanced materials and therapeutic applications.
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