Non-linear Optical Response of Phenoxazine-based Dyes: Molecular Engineering of Thiadiazole Derivatives as π-spacers

Authors

  • Muhammad Ramzan Saeed Ashraf Janjua King Fahd University of Petroleum & Minerals (KFUPM)

DOI:

https://doi.org/10.29356/jmcs.v61i3.352

Keywords:

Organic dyes, Polarizability, Hyperpolarizability, Phenoxazine, DFT

Abstract

In this article, various dyes have been quantum chemically designed which are based on A-π-D-π-A structural configuration. The main objective of this work is to study the effect of electron deficient thiadiazole derivatives as the π-spacers. The role of these π-spacers in phenoxazine-based dyes have been studied through electronic, non-linear optical (NLO) and absorption properties. The electronic structures, absorption spectra and NLO response were calculated by employing quantum chemical methods. The results reveal that the polarizability (α) and hyperpolarizability (β) remarkably increase from dye 1 to dye 5. As compared to model of dye 1, dyes 2-5have shown red-shifted absorption spectra and low band gaps.

Downloads

Download data is not yet available.

Author Biography

Muhammad Ramzan Saeed Ashraf Janjua, King Fahd University of Petroleum & Minerals (KFUPM)

Department of Chemistry

Downloads

Published

2017-10-26

Issue

Vol. 61 No. 3 (2017): Regular Issue

Section

Regular Articles

License

Authors who publish with this journal agree to the following terms:

  • Authors retain copyright and grant the journal right of first publication with the work simultaneously licensed under a Creative Commons Attribution License that allows others to share the work with an acknowledgement of the work's authorship and initial publication in this journal.
  • Authors are able to enter into separate, additional contractual arrangements for the non-exclusive distribution of the journal's published version of the work (e.g., post it to an institutional repository or publish it in a book), with an acknowledgement of its initial publication in this journal.