Abstract
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.
Highlights
Photoluminescence is a type of luminescence that arises from photoexcitation of the emitting species, and the emission of light from excited electronic states
Computational calculations provide geometry conformation, dipole moments, and oscillator strengths values that establish potential luminescent capacities for compounds 1 and 2, and denies the possibility to have this activity in compound 3
We proposed that the unattainability of product 3 was due to the formation of a highly stable specie in one of its initial reagents, supported by theoretical calculations
Summary
Photoluminescence is a type of luminescence that arises from photoexcitation of the emitting species, and the emission of light from excited electronic states. It is of great importance in many scientific and technological fields, such as physics, chemistry, material science, and biology [1,2]. Luminophores are one atom or a group of atoms that have the capacity of emitting light with apparent spontaneity, due to an electronic transition These systems are the basis of the development of luminescent materials, which in turn have potential applications in a number of new technologies [3]. The work conducted on the discovery and development of green fluorescent proteins (GFP) was awarded with the Nobel Prize in 2008 [4]
Sign-in/Register to view highlights & summary Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
