Ramle, Abdul Qaiyum and Hisham, Shameer and Yusof, Enis Nadia Md and Alsaee, Saleh K. and Latif, Muhammad Alif Mohamad and Arshad, Suhana and Basirun, Wan Jefrey and Tiekink, Edward R.T. and Adam, Mohd Ridhwan (2024) The effect of π-extended indoleninyl-dibenzotetraaza[14]annulenes on their third-order nonlinear optical properties. Journal of Molecular Structure, 1308. p. 138066. ISSN 0022-2860, DOI https://doi.org/10.1016/j.molstruc.2024.138066.
Full text not available from this repository.Abstract
Two new dibenzotetraaza14]annulenes (DBTAAs) featuring indolenine moieties were synthesised via an acetic acid -catalysed condensation of 1,2-diaminobenzene with two diformyl indolenines in good yields. The structural identity of the compounds was confirmed by NMR ( 1 H, 13 C), FT-IR and elemental analysis. UV - visible analysis displays intense absorptions in the Soret band region with epsilon ranging from 0.32 to 1.02 x 10 5 M -1 cm -1 in various solvents of different polarities. The absorption spectra display a slight bathochromic shift upon replacing the indolenine ( 4a ) with benz e ]indolenine ( 4b ) groups on the DBTAA framework. Furthermore, the spectra exhibit solvatochromism shifts due to hydrogen -bonding interactions between the solutes and solvents. The effect of the extended pi-conjugation on the electronic distributions at different energy levels was computed by Density Functional Theory (DFT) calculations. Compound 4b exhibits greater Nonlinear Optical (NLO) parameters compared to 4a due to the extended pi-conjugation in the molecule. Hence, 4b could be utilised as a promising material for various NLO applications.
| Item Type: | Article |
|---|---|
| Funders: | Universiti Sains Malaysia (304/PKIMIA/6315738) |
| Uncontrolled Keywords: | Dibenzotetraaza14]annulenes; UV -visible spectroscopy; Density Functional Theory; Nonlinear Optical (NLO) properties |
| Subjects: | Q Science > QD Chemistry |
| Divisions: | Faculty of Science > Department of Chemistry |
| Depositing User: | Ms. Juhaida Abd Rahim |
| Date Deposited: | 16 Oct 2024 07:59 |
| Last Modified: | 16 Oct 2024 07:59 |
| URI: | http://eprints.um.edu.my/id/eprint/45422 |
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