Synthesis, Crystal Structure, Quantum Chemical Analysis, Electrochemical Behavior, and Antibacterial and Photocatalytic Activity of Co Complex with Pyridoxal-(S-Methyl)-isothiosemicarbazone Ligand
Abstract
:1. Introduction
2. Results
2.1. Crystal Structure
2.2. IR spectra of Complexes
2.3. Hirshfeld Surface Analysis
2.4. Structure Optimization
2.5. Stabilization Interactions and NBO Analysis
2.6. Photocatalytic Activity
2.7. Antibacterial Activity
2.8. Minimum Inhibition Concentration (MIC)
2.9. Measurement of Reactive Oxygen Species
2.10. Cyclic Voltammetry of [Co(PLITSC-H)2]BrNO3 •CH3OH
2.11. CV of Compound 1 under CO2
2.12. Magnetic Moment Measurements and Molar Conductivity of Complexes
3. Materials and Methods
3.1. Synthesis of [Co(PLITSC-H)2]BrNO3·CH3OH (1)
3.2. IR Spectroscopy, Magnetic Susceptibility, Molar Conductivity, and Elemental Analysis
3.3. X-ray Analysis
3.4. Photocatalytic Activity
3.5. Antibacterial Activity
3.6. Minimum Inhibition Concentration (MIC)
3.7. Determination of ROS
3.8. Cyclic Voltammetry
3.9. Theoretical Calculations
4. Conclusions
Supplementary Materials
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Acknowledgments
Conflicts of Interest
Sample Availability
References
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Empirical Formula | C21 H30 Br0.55 Co N8.45 O6.35 S2 |
Formula weight | 669.43 |
Temperature | 123 K |
Wavelength | 0.71073 |
Crystal System | monoclinic |
Space group | P-1 |
Volume | 1386.27 (5) |
Unit cell dimension | a = 8.7000 (2); b = 10.8488 (2); c = 15.9018 (3); |
Z | Alpha = 74.505 (1); Beta = 82.126 (1); Gamma = 73.881 (1) |
The Bonds Length [Å] | Angles [°] |
---|---|
Co1-O2 1.911 (2) | O2-Co1-O3 87.50 (6) |
Co1-O3 1.879 (1) | O2-Co1-N2 95.56 (7) |
Co1-N2 1.877 (1) | O2-Co1-N7 88.64 (7) |
Co1-N7 1.882 (2) | O2-Co1-N4 177.58 (7) |
Co1-N4 1.885 (2) | O2-Co1-N5 92.97 (7) |
Co1-N5 1.887 (2) | O3-Co1-N2 88.31 (7) |
Microorganisms | Concentration (mg mL−1) | Zone of Inhibition (mm) | |||
---|---|---|---|---|---|
Compound 1 | Compound 2 | Streptomycin | Negative Control | ||
S. aureus | 0.25 | 7.0 ± 0.2 | 0.3 ± 0.2 | 15 ± 0.3 | Zero inhibition |
0.5 | 11.0 ± 0.3 | 0.8 ± 0.3 | |||
1 | 14.0 ± 0.3 | 2.6 ± 0.3 | |||
2 | 17.0 ± 0.4 | 4.8 ± 0.4 | |||
E. coli | 0.25 | 5.0 ± 0.1 | 0.2 ± 0.1 | 13 ± 0.2 | Zero inhibition |
0.5 | 8.0 ± 0.2 | 0.9 ± 0.3 | |||
1 | 11.0 ± 0.4 | 1.9 ± 0.3 | |||
2 | 14.0 ± 0.4 | 3.4 ± 0.4 |
Bacteria | Tested Sample (μg mL−1) | ||||||
---|---|---|---|---|---|---|---|
60 | 50 | 40 | 30 | 20 | Compound 2 | Chloramphenicol | |
S. aureus | − | − | − | − | − | >1000 | 5 |
E. coli | − | − | − | − | + | >1000 | 5 |
P. aeruginosa | − | − | − | − | + | >1000 | 50 |
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Jevtović, V.; Hamoud, H.; Al-Zahrani, S.; Alenezi, K.; Latif, S.; Alanazi, T.; Abdulaziz, F.; Dimić, D. Synthesis, Crystal Structure, Quantum Chemical Analysis, Electrochemical Behavior, and Antibacterial and Photocatalytic Activity of Co Complex with Pyridoxal-(S-Methyl)-isothiosemicarbazone Ligand. Molecules 2022, 27, 4809. https://doi.org/10.3390/molecules27154809
Jevtović V, Hamoud H, Al-Zahrani S, Alenezi K, Latif S, Alanazi T, Abdulaziz F, Dimić D. Synthesis, Crystal Structure, Quantum Chemical Analysis, Electrochemical Behavior, and Antibacterial and Photocatalytic Activity of Co Complex with Pyridoxal-(S-Methyl)-isothiosemicarbazone Ligand. Molecules. 2022; 27(15):4809. https://doi.org/10.3390/molecules27154809
Chicago/Turabian StyleJevtović, Violeta, Haneen Hamoud, Salma Al-Zahrani, Khalaf Alenezi, Salman Latif, Tahani Alanazi, Fahad Abdulaziz, and Dušan Dimić. 2022. "Synthesis, Crystal Structure, Quantum Chemical Analysis, Electrochemical Behavior, and Antibacterial and Photocatalytic Activity of Co Complex with Pyridoxal-(S-Methyl)-isothiosemicarbazone Ligand" Molecules 27, no. 15: 4809. https://doi.org/10.3390/molecules27154809