Structural, Hirshfeld surface analysis, third order non-linear optical and molecular modelling of imidazolium glutarate single crystals for optical applications

Journal of Molecular Structure(2023)

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摘要
•Crystalline structure was determined by single-crystal X-ray diffraction.•Hirshfeld surfaces analyses were presented.•The thermal stability of the crystal was analysed by TG/DTA technique.•Hydrogen bonding is responsible for crystal packing.•The molecule showed higher order dipole moment of 10.3163 Debye.
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关键词
Single crystal,XRD studies,Hirshfeld surface,Z-scan,Hyperpolarizability,MEP
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