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Article

A Theoretical and Experimental Study on the Potential Luminescent and Biological Activities of Diaminodicyanoquinodimethane Derivatives

1
School of Chemical Sciences and Engineering, Yachay Tech University, Hda. San José s/n y Proyecto Yachay, Urcuquí 100119, Ecuador
2
School of Biological Sciences and Engineering, Yachay Tech University, Hda. San José s/n y Proyecto Yachay, Urcuquí 100119, Ecuador
3
Grupo de Química Computacional y Teórica (QCT-USFQ), Instituto de Simulación Computacional (ISC-USFQ), Departamento de Ingeniería Química, Universidad San Francisco de Quito, Diego de Robles y Vía Interoceánica, Quito 17-1200-841, Ecuador
*
Authors to whom correspondence should be addressed.
Int. J. Mol. Sci. 2021, 22(1), 446; https://doi.org/10.3390/ijms22010446
Received: 17 June 2020 / Revised: 2 August 2020 / Accepted: 3 August 2020 / Published: 5 January 2021
(This article belongs to the Section Molecular Biophysics)
Recently, several studies have demonstrated that diaminodicyanoquinone derivatives (DADQs) could present interesting fluorescence properties. Furthermore, some DADQs under the solid state are capable of showing quantum yields that can reach values of 90%. Besides, the diaminodiacyanoquinone core represents a versatile building block propense either to modification or integration into different systems to obtain and provide them unique photophysical features. Herein, we carried out a theoretical study on the fluorescence properties of three different diaminodicyanoquinodimethane systems. Therefore, time-dependent density functional theory (TD-DFT) was used to obtain the values associated with the dipole moments, oscillator strengths, and the conformational energies between the ground and the first excited states of each molecule. The results suggest that only two of the three studied systems possess significant luminescent properties. In a further stage, the theoretical insights were confirmed by means of experimental measurements, which not only retrieved the photoluminescence of the DADQs, but also suggest a preliminary and promising antibacterial activity of these systems. View Full-Text
Keywords: luminescence; quinones; fluorescence; TD-DFT; quantum yield luminescence; quinones; fluorescence; TD-DFT; quantum yield
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MDPI and ACS Style

Jiménez, E.R.; Caetano, M.; Santiago, N.; Torres, F.J.; Terencio, T.; Rodríguez, H. A Theoretical and Experimental Study on the Potential Luminescent and Biological Activities of Diaminodicyanoquinodimethane Derivatives. Int. J. Mol. Sci. 2021, 22, 446. https://doi.org/10.3390/ijms22010446

AMA Style

Jiménez ER, Caetano M, Santiago N, Torres FJ, Terencio T, Rodríguez H. A Theoretical and Experimental Study on the Potential Luminescent and Biological Activities of Diaminodicyanoquinodimethane Derivatives. International Journal of Molecular Sciences. 2021; 22(1):446. https://doi.org/10.3390/ijms22010446

Chicago/Turabian Style

Jiménez, Edison R., Manuel Caetano, Nelson Santiago, F. J. Torres, Thibault Terencio, and Hortensia Rodríguez. 2021. "A Theoretical and Experimental Study on the Potential Luminescent and Biological Activities of Diaminodicyanoquinodimethane Derivatives" International Journal of Molecular Sciences 22, no. 1: 446. https://doi.org/10.3390/ijms22010446

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