D-π-A push-pull chromophores based on N, N-Diethylaniline as a donor for NLO applications: effects of structural modification of π-linkers
Three metal-free organic compounds based on N, N-Diethylaniline as a donor, and 2-(3-
cyano-5, 5-dimethylfuran-2 (5H)-ylidene) malononitrile as an acceptor of electrons with the
D-π-A architecture were investigated theoretically using DFT, LC-DFT and TD-DFT
techniques for future usage as NLO materials. The effect of changing the π-linker of the
parent compound M1 on the electronic, photophysical characteristics and the nonlinear
optical response has been extensively studied and discussed. M1-M3 exhibit a band gap (E …
cyano-5, 5-dimethylfuran-2 (5H)-ylidene) malononitrile as an acceptor of electrons with the
D-π-A architecture were investigated theoretically using DFT, LC-DFT and TD-DFT
techniques for future usage as NLO materials. The effect of changing the π-linker of the
parent compound M1 on the electronic, photophysical characteristics and the nonlinear
optical response has been extensively studied and discussed. M1-M3 exhibit a band gap (E …
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