Linear and nonlinear optical properties of 1-(2-ethoxyphenyl)-3-(4-nitrophenyl) triazene (ENT)

Document Type : Original Article

Authors

department of chemistry,, Payam Noor University, Tehran, Iran

10.22036/cr.2020.219386.1115

Abstract

In this study, 1- (2-ethoxyphenyl) -3- (4-nitrophenyl) triazene (ENT) as a compound with high nonlinear optical properties for application in optical devises has been studied. For this purpose, linear and nonlinear optical properties of asymmetric diaryl triazene with electron acceptor and donor subsituents are investigated. Initially 1- (2-ethoxyphenyl) -3- (4-nitrophenyl) triazene (ENT) was synthesized and its structure and properties were identified by melting point, IR and HNMR spectroscopy. Then the UV-Vis spectrum of the compound was prepared and band gap energy (2.4 eV) was calculated using the Tauc equation. In addition, the natural bond orbital (NBO) calculations, frontier molecular orbitals, dipolemoment moment, second and third order hyperpolarizability and anisotropy (Δ α) were calculated using density functional theory (DFT) calculation with 6-31G++(d,p) basis set. frontier molecular orbital studies and band gap energy calculations, high amounts of dipolemoment and high polarizability as well as the results of intramolecular electron transfer (ICT) obtained from NBO calculations indicated ENT molecule has high ICT and may have potential applications in the development of NLO materials and optical devises.

Graphical Abstract

Linear and nonlinear optical properties of 1-(2-ethoxyphenyl)-3-(4-nitrophenyl) triazene (ENT)

Keywords

References

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Iranian Journal of Chemistry
Volume 3, Issue 2 - Serial Number 5
March 2021
Pages 171-176

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History

  • Receive Date: 26 January 2020
  • Revise Date: 04 July 2020
  • Accept Date: 16 March 2021

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