Linear and nonlinear optical properties of 1-(2-methoxyphenyl)-3-(4-chlorophenyl) triazene
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Fatemeh Mostaghni
,
Homa Shafiekhani
Abstract
In this research, 1-(2-methoxyphenyl)-3-(4-chlorophenyl) triazene was studied as a compound with high nonlinear optical properties for use in optical devices. For this purpose, the compound was synthesized and its structure was identified by melting point and infrared and nuclear magnetic resonance spectroscopy. Then, the bandgap energy of the title compound was determined to be 2.4 eV using the Tauc relation. Density functional theory and time-dependent methods were used for calculations of magnetic moment, natural band orbital, analysis of frontier molecular orbitals, first and second order hyperpolarizability. The results showed a dipole moment of 2.45 Debye for the molecule. The calculation of the hyperpolarizability showed the values of −109.6, 128.9 and −3694 a.u. for the first, second and third order polarizability respectively. Finally, the experimental and computational results showed that the compound has significant nonlinear optical properties and will be suitable for nonlinear optics studies and applications in optical devices.
Funding source: Payame Noor University
Award Identifier / Grant number: Unassigned
Acknowledgements
The authors wish to acknowledge the support of this work by Payame Noor University Research council.
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Author contribution: All the authors have accepted responsibility for the entire content of this submitted manuscript and approved submission.
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Research funding: None declared.
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Conflict of interest statement: The authors declare no conflicts of interest regarding this article.
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Articles in the same Issue
- Frontmatter
- Original Papers
- Aluminium nitride dispersion strengthened steel
- Synthesis of spherical mullite/Yb2SiO5 composite EBC powder by using mechanical alloying and spray dry processes
- Absorber film deposition by hollow cathode discharge for solar thermal collectors application
- Linear and nonlinear optical properties of 1-(2-methoxyphenyl)-3-(4-chlorophenyl) triazene
- Machine learning doped MgB2 superconductor critical temperature from topological indices
- Investigation on an anti-corrosion Cu-rich multiple-principal-element alloy strengthened and toughened by nano-scaled L12-type ordered particles
- Study on the microstructure and age hardening capability in Al–Cu–Li alloys with different Cu/Li ratio
- News
- DGM – Deutsche Gesellschaft für Materialkunde
Articles in the same Issue
- Frontmatter
- Original Papers
- Aluminium nitride dispersion strengthened steel
- Synthesis of spherical mullite/Yb2SiO5 composite EBC powder by using mechanical alloying and spray dry processes
- Absorber film deposition by hollow cathode discharge for solar thermal collectors application
- Linear and nonlinear optical properties of 1-(2-methoxyphenyl)-3-(4-chlorophenyl) triazene
- Machine learning doped MgB2 superconductor critical temperature from topological indices
- Investigation on an anti-corrosion Cu-rich multiple-principal-element alloy strengthened and toughened by nano-scaled L12-type ordered particles
- Study on the microstructure and age hardening capability in Al–Cu–Li alloys with different Cu/Li ratio
- News
- DGM – Deutsche Gesellschaft für Materialkunde
