- Title
- Electronic and nonlinear optical properties of 2-(((5-aminonaphthalen-1-yl) imino) methyl) phenol
- Creator
- Ojo, Nathanael D, Krause, Rui W M, Obi-Egbedi, Nelson O
- Subject
- To be catalogued
- Date
- 2020
- Type
- text
- Type
- article
- Identifier
- http://hdl.handle.net/10962/193397
- Identifier
- vital:45328
- Identifier
- xlink:href="https://doi.org/10.1016/j.molliq.2020.114157"
- Description
- In this study, solvent dependence of electronic and nonlinear optical properties of a new Schiff base, 2-(((5-aminonaphthalen-1-yl)imino)methyl) phenol (DANOHB), has been investigated. Electronic and optical properties of the Schiff base studied using Uv-visible absorption and fluorescence spectroscopic techniques in solution show that the Schiff base exhibits fluorescence with a quantum yield of 0.21 and a Stokes shift of 39 nm. Quantum chemical calculations were performed on the Schiff base at time-dependent density functional level of theory using Becke-3-Lee-Yang-Parr method with 6-311++G(d,p) basis set. Solvent dependence of the excited state energies (EE), energy gap (ΔE), first-order (β) and second-order (γ) hyperpolarizabilities were studied in gas, cyclohexane and ethanol. The medium perturbed the energy levels which implies that the reactivity, activity and stability of the system are solvent sensitive. The γ is more than thirty times higher than urea (standard NLO material) and this property is further enhanced in less polar medium. Small ΔE and large hyperpolarizabilities obtained for this system suggest its good potential in photonics and nonlinear optical devices.
- Format
- computer, online resource, application/pdf, 1 online resource (8 pages), pdf
- Publisher
- Elsevier
- Language
- English
- Relation
- Journal of Molecular Liquids, Ojo, N.D., Krause, R.W. and Obi-Egbedi, N.O., 2020. Electronic and nonlinear optical properties of 2-(((5-aminonaphthalen-1-yl) imino) methyl) phenol: Experimental and time-dependent density functional studies. Journal of Molecular Liquids, 319, p.114157, Journal of Molecular Liquids volume 319 p. 114157 2020 2210-2728
- Rights
- Publisher
- Rights
- Use of this resource is governed by the terms and conditions of the Elsevier Terms and Conditions Statement (https://www.elsevier.com/legal/elsevier-website-terms-and-conditions)
- Rights
- Closed Access
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Krause, Rui Werner Maçedo (Prof)
RU Department of Chemistry
SDG 03. Good Health and Well-Being
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| View Details Download | SOURCE1 | Electronic and nonlinear optical properties of 3-(((2-substituted-4-nitrophenyl) imino) methyl) phenol. Computational and Theoretical Chemistry.pdf | 830 KB | Adobe Acrobat PDF | View Details Download |