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An efficient way to grow large size single crystal of imidazole by modified Czochralski technique and study of its optical and mechanical properties

Large-sized single crystal of imidazole was successfully grown for the first time by cost-effective modified Czochralski technique for lower melting point materials. Its monoclinic crystal system and cell parameters a = 7.7251 Å, b = 5.4450 Å, c = 9.2599 Å, and β = 110.556° were determined through s...

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Bibliographic Details
Published in:Optical materials 2024-10, Vol.156, p.115964, Article 115964
Main Authors: Shukla, Mayank, Sinha, Nidhi, Yadav, Tarun, Sagar, Puneet, Bhukkal, Sumit, Kumar, Binay
Format: Article
Language:English
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Summary:Large-sized single crystal of imidazole was successfully grown for the first time by cost-effective modified Czochralski technique for lower melting point materials. Its monoclinic crystal system and cell parameters a = 7.7251 Å, b = 5.4450 Å, c = 9.2599 Å, and β = 110.556° were determined through single crystal and powder XRD analysis. Hisrshfeld surface analysis and 2D fingerprint plot of imidazole revealed that H···H, C···H/H···C and H···N/N···H has 49.7 %, 18.7 % and 28.9 % of overall intermolecular interactions present in the crystal. Direct band gap nature, high transmittance and lower absorption cutoff at 236 nm was found in UV–Vis spectroscopy. Thermal studies of the crystal were carried out using TGA and DSC analysis and sharp endothermic peak showed high crystallinity and thermal stability up to its melting point. Fundamental functional groups of the crystals were identified by FTIR technique. Mechanical strength of imidazole single crystal was analyzed by Vickers microhardness at different loads, and it was observed that after 20 g load crystals showed indentation size effect. Large-sized, variable diameter single crystal of new organic material imidazole was grown by using modified Czochralski technique. SCXRD and PXRD were performed to know the crystal system and space group associated to grown crystal. Intermolecular interactions present in the crystal were identified through Hirshfeld surface and fingerprint plot. Thermal stability up to its melting point and crystallinity of imidazole crystal were investigated by TGA/DSC analysis. High transmittance, low cutoff wavelength and large direct band gap of the crystal i.e. 5.28eV were obtained when crystal was undergone to optical study. Vickers microhardness study determined RISE and ISE effect crystal at different loads. Mechanical strength and optical studies made it suitable candidate for optoelectronic applications. [Display omitted] •Imidazole single crystal was grown first time using modified CZ technique.•Variable diameter of crystal achieved by changing translation & rotation rate.•Crystal shows good optical transparency and low cutoff 237 nm in UV–Vis studies.•Band gap 5.28 eV from Tauc's plot well matched with theoretical value.•Intermolecular interactions are evaluated by Hirshfeld surface analysis.
ISSN:0925-3467
DOI:10.1016/j.optmat.2024.115964