Synthesis and ultrafast optical absorption response of novel d-π-a pyrene chalcone derivatives

Journals

Online: 17 October 2022; Volume 1, Issue 1, No.5 PDF DOWNLOAD

Title：
Synthesis and ultrafast optical absorption response of novel d-π-a pyrene chalcone derivatives
Author：
Yu-fang Shi*, Jin-yu Sun, Ying-jin Wang, Ming-gen Zhao
Author Affiliation：
Key Laboratory of Materials and Computational Chemistry, Department of Chemistry, Xinzhou Teachers University, Xinzhou, China

Abstract

Two chalcone derivatives l-(2,5-dimethoxy phenyl)-3-(pyren-l-yl) acrylic ketone (a) and 1-(3,4-dimethoxyphenyl)-3-(pyren-1-yl) acrylic ketone (b) were designed and synthesized. The structures were characterized by IR, 1HNMR, 13CNMR and LC-MS. The ultraviolet (UV) and fluorescence (FL) spectra of the compounds were determined. The theoretical calculation and thermal characteristics of a and b are studied, and the relationship between structure and performance was explained. The electronic structures of a and b were optimized at B3LYP/6-311 + G (d, p) level. Frontier molecular orbitals analysis demonstrated that the energy gap of a and b are 3.24 and 3.08 eV. Femtosecond Z-scan measurements showed that the two molecules exhibited reverse saturation absorption (RSA) at 515 and 532 nm. The thermal properties, the theoretical calculations and the experimental results consistently indicate that the compound b has a good application prospect in nonlinear optics materials.

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