Journal
JOURNAL OF MOLECULAR STRUCTURE
Volume 1251, Issue -, Pages -Publisher
ELSEVIER
DOI: 10.1016/j.molstruc.2021.131973
Keywords
NLO crystal; DOBT; Crystal structure; SHG signal
Categories
Funding
- Program for National Natural Science Foundation of China [51972181]
- program for National Natural Science Foundation of Shandong Province [ZR2020ME022]
- Taishan Scholar Program of Shandong Province, China
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A novel ionic organic nonlinear optical crystal DOBT was synthesized and grown, and its composition, structure, and optical properties were characterized. The results showed that DOBT crystal has excellent photoelectric properties.
A novel ionic organic nonlinear optical crystal 2-(3,4-dimethoxystyryl)-3-methylbenzothiazolium-4-methylbenzenesulfonate (DOBT) was synthesized and grown by slow cooling method. Single crystal X-ray diffraction was used to determine the composition and structure of the crystal. Through the corrosion morphology of the crystal surface, the growth mechanism of the crystal is explored. The surface diagram of molecular electrostatic potential and HOMO-LUMO orbital diagram were calculated and drawn, and the molecular interaction and charge transfer in the crystal were determined. DOBT crystals exhibit a strong second-order nonlinear signal, and the measured SHG signal intensity of the crystal raw material powder is about 6 times that of KDP. The PL spectrum, UV-Vis-NIR spectrum and dielectric diagram of the crystal were analyzed, which proved that the DOBT crystal has superior photoelectric properties. (C) 2021 Elsevier B.V. All rights reserved.
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