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Aggregation Induced Emission and Nonlinear Optical Properties of an Intramolecular Charge-Transfer Compound.

ABSTRACT: Intramolecular charge transfer (ICT) compounds have attracted wide attention for their potential applications in optoelectronic materials and devices such as fluorescent sensors, dye-sensitized solar cells, organic light emitting diodes and nonlinear optics. In this work, we have synthesized a new ICT compound, dimethyl-[4-(7-nitro-benzo[1,2,5]thiadiazol-4-yl)-phenyl]-amine (BTN), and have fabricated it into low dimensional micro/nano structures with well-defined morphologies. These self-assembled nanostructures exhibit high efficiency solid state fluorescence via an aggregation induced emission mechanism, which overcomes the defect of fluorescence quenching caused by aggregation in the solid state of traditional luminescent materials. We also explored and studied the nonlinear optical properties of this material through the Z-scan method, and found that this material exhibits large third-order nonlinear absorption and refraction coefficients, which promises applications of the materials in the fields of nonlinear optics and optoelectronics.

SUBMITTER: Chen S

PROVIDER: S-EPMC8069476 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Project description:In dipolar organic π-conjugated molecules, variable photophysical properties can be realized through efficient excited-state intramolecular charge transfer (ICT), which essentially depends on the π-conjugation patterns. Herein, we report a controllable regioselective strategy for synthesis and optical properties of two donor-acceptor (DA)-type 1,3,5,9-tetraarylpyrenes (i.e., 1,3-A/5,9-D (4b) and 1,3-D/5,9-A (4c)) by covalently integrating two phenyl rings and two p-OMe/CHO-substituted phenyl units into the 2-tert-butylpyrene building block, in which the two phenyl rings substituted at the 1,3-positions act as acceptors for 4b or as donors for 4c and the two p-OMe or p-CHO-substituted phenyl moieties substituted at the K-region of 5,9-positions act as donors for 4b or as acceptors for 4c, respectively. Density functional theory calculations on their frontier molecular orbitals and UV-vis absorption of S0 → S1 transition theoretically predicted that the change of π-conjugation directions in the two DA pyrenes could be realized through a variety of substitution patterns, implying that the dissimilar ground-state and excited-state electronic structures exist in each molecule. Their single-crystal X-ray analysis reveal their highly twisted conformations that are beneficial for inhibiting the π-aggregations, which are strikingly different from the normal 1,3,5,9-tetraphenylpyrenes (4a) and related 1,3,6,8-tetraarylpyrenes. Indeed, experimental investigations on their optical properties demonstrated that the excited-state ICT pathways can be successfully controlled by the change of π-conjugation directions through the variety of substitution positions, resulting in the modulations of emission color from deep-blue to green in solution. Moreover, for the present DA pyrenes, highly fluorescent emissions with moderate-to-high quantum yields both in the thin film and in the doped poly(methyl methacrylate) film were obtained, suggesting them as promising emitting materials for the fabrication of organic light-emitting diodes.

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Aggregation Induced Emission and Nonlinear Optical Properties of an Intramolecular Charge-Transfer Compound.

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