Synthesis, Spectral Characterization and DFT Calculations of New Co(II) Complexes Derived from Benzimidazoles

Q: How can I download an article?

To download an article from SID, first log in to the site, search for the article title, and click on the 'Download Article' option.

Q: How can I download an ISI article?

To download an ISI article on SID, enter the keyword or article title in the search bar, view the relevant results, click on the desired article, and select the 'Download Article' option.

Q: How can I access the SID database?

To access the SID database, visit SID.ir, create an account, and log in to access scientific resources.

Q: Is downloading articles from SID free?

Some articles on SID are available for free, while others require payment. Details are specified on the article's page.

Safavi Rad Zahra; Pordel Mehdi; Davvodnia Abolghasem

مرکز اطلاعات علمی Scientific Information Database (SID) - Trusted Source for Research and Academic Resources

Journal Paper

Paper Information

Journal: Iranian Journal of Chemistry and Chemical Engineering Year:2019 | Volume:38 | Issue:5 Page(s): 111-120

Download Full-Text

View:

154

Download:

186

Cites:

Information Journal Paper

Title

Synthesis, Spectral Characterization and DFT Calculations of New Co(II) Complexes Derived from Benzimidazoles

Author(s)

Safavi Rad Zahra | Pordel Mehdi | Davvodnia Abolghasem | Issue Writer Certificate

Keywords

Benzimidazole

Fluorescent ligands

Co(II) complex

UV-Vis and fluorescence spectroscopies

DFT

Abstract

The synthesis, characterization and quantum-chemical investigations of two new Co(II) complexes derived from fluorescent Benzimidazoles have been reported. Two new fluorescent heterocyclic ligands were synthesized from the reduction of imidazo[4', 5': 3, 4]benzo[1, 2-c]isoxazole derivatives, and characterized by elemental analyses, IR, mass, and NMR spectra. Coordination of the bidentate ligands with Co(II) cation produced orange complexes. The structures of the complexes have been established by spectral and analytical data as well as Job’ s method. The photophysical properties of the new ligands and Co(II) complexes were characterized by UV-Vis and fluorescence spectroscopies. An efficient charge transfer from the p-orbital of ligand to the Co(II) d-orbital could be proposed as the main reason for the color of the new complexes. To gain insight into geometry, spectral properties and the energy difference between the HOMO and LUMO frontier orbitals of the ligands and Co(II) complexes, the DFT calculations at the B3LYP/6-311++G(d, p) level were employed. The DFT-calculated spectral properties were in good agreement with the experimental values and confirmed the suitability of the optimized geometries for cobalt complexes.

Multimedia

No record.

Cites

No record.

References

No record.

Cite

APA: Copy

Safavi Rad, Zahra, Pordel, Mehdi, & Davvodnia, Abolghasem. (2019). Synthesis, Spectral Characterization and DFT Calculations of New Co(II) Complexes Derived from Benzimidazoles. IRANIAN JOURNAL OF CHEMISTRY AND CHEMICAL ENGINEERING (IJCCE), 38(5), 111-120. SID. https://sid.ir/paper/750030/en

Vancouver: Copy

Safavi Rad Zahra, Pordel Mehdi, Davvodnia Abolghasem. Synthesis, Spectral Characterization and DFT Calculations of New Co(II) Complexes Derived from Benzimidazoles. IRANIAN JOURNAL OF CHEMISTRY AND CHEMICAL ENGINEERING (IJCCE)[Internet]. 2019;38(5):111-120. Available from: https://sid.ir/paper/750030/en

IEEE: Copy

Zahra Safavi Rad, Mehdi Pordel, and Abolghasem Davvodnia, “Synthesis, Spectral Characterization and DFT Calculations of New Co(II) Complexes Derived from Benzimidazoles,” IRANIAN JOURNAL OF CHEMISTRY AND CHEMICAL ENGINEERING (IJCCE), vol. 38, no. 5, pp. 111–120, 2019, [Online]. Available: https://sid.ir/paper/750030/en

Related Journal Papers

No record.

Related Seminar Papers

No record.

Related Plans

No record.

Recommended Workshops