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Abstract
In the present study, organic pyrene-based derivatives were selected for NLO investigation.
Highlights
Organic compounds with donor–p-bridge–acceptor (D–p–A) con guration showed excellent nonlinear optical (NLO) properties employed in various areas of research like molecular switching, optical modulation/memory, laser, biophysics and surface interface science.[1,2,3] Organic NLO compounds have advantages over the inorganic based on their enhanced electronic penetration, larger molecular polarizability and rapid response times.[4]
Theoretical and experimental investigations suggest that a signi cant NLO response can be achieved through the uni cation of strong donor and acceptor groups at the peripheral ends of a p-conjugated system.[1]
These results revealed the fact that the acceptors have promising in uence over the donor–p–acceptor structures, and strongly tuned the entire features of the designed compounds over the synthesized compound
Summary
Organic compounds with donor–p-bridge–acceptor (D–p–A) con guration showed excellent nonlinear optical (NLO) properties employed in various areas of research like molecular switching, optical modulation/memory, laser, biophysics and surface interface science.[1,2,3] Organic NLO compounds have advantages over the inorganic based on their enhanced electronic penetration, larger molecular polarizability and rapid response times.[4]. The literature is overwhelmed with various structures, including donor–acceptor, donor–p-spacer–acceptor, acceptor–p-spacer– donor–p-linker–acceptor, donor–p-linker–acceptor–p-spacer– donor, donor–acceptor–p–acceptor and donor–donor–p– acceptor.[26] The extent of p-conjugation and the nature of substituents strongly affect the NLO response of the molecules.[26,27] Experimental and theoretical research studies enhanced the NLO response, which is created through participation of strong donor and acceptor groups on one of two sides of a suitable p-conjugated structure. The experimental and theoretical analyses revealed that excellent second order NLO properties arise because of the D–p–A system planarity, auxiliary donors, donors, and acceptor units, and the p-electron twisted model. These ndings stimulated towards the second and third order NLO responses of pyrene-based compounds that are explored in the current ndings. The third-order NLO computations designed a remarkable series of pyrene derivatives with representative donor–p–acceptor structures
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