Growth, thermal, mechanical, structural and optical properties of organic NLO crystals of novel cis-2,6-bis(2-chlorophenyl)-3,3-dimethylpiperidin-4-one

cis-2,6-Bis(2-chlorophenyl)-3,3-dimethylpiperidin-4-one (2C3DMPO), crystal has been grown using slow evaporation technique. Single crystal X-ray diffraction study of 2C3DMPO was carried out. UV–Vis, FT-IR and NMR spectral studies have been used for the characterisation of the crystal. The thermal st...

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Bibliographic Details
Published in:Journal of molecular structure 2015-02, Vol.1081, p.449-456
Main Authors: Ponnuswamy, S., Mohanraj, V., Ilango, S.S., Thenmozhi, M., Ponnuswamy, M.N.
Format: Article
Language:English
Subjects:
Crystal growth
Crystals
Diffraction
Evaporation
Harmonics
Microhardness
Molecular structure
Non linear optical properties
Single crystals
Solubility
Spectra
Thermal properties
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Summary:cis-2,6-Bis(2-chlorophenyl)-3,3-dimethylpiperidin-4-one (2C3DMPO), crystal has been grown using slow evaporation technique. Single crystal X-ray diffraction study of 2C3DMPO was carried out. UV–Vis, FT-IR and NMR spectral studies have been used for the characterisation of the crystal. The thermal stability of the crystal was established by TG/DTA. The SHG efficiency of the crystal was found to be 3.83 times greater than that of KDP. [Display omitted] •r-2,c-6-Bis (2-chlorophenyl)-c-3,t-3-dimethylpiperidin-4-one is a new class of organic NLO material.•This crystal has important characteristics of thermal and mechanical properties.•Non-centro symmetric crystal crystallizes in monoclinic space group P21.•SHG efficiency of the crystal was found to be 3.83 times greater than that of KDP. An organic NLO material viz., cis-2,6-bis(2-chlorophenyl)-3,3-dimethylpiperidin-4-one (2C3DMPO), has been synthesized and a slow evaporation technique was applied to produce a single crystal. X-ray diffraction study on the single crystal 2C3DMPO reveals a non-centro symmetric crystal, possessing a monoclinic space group P21 and prefers to adopt a chair conformation. The crystal has been characterised using UV, FT-IR and NMR spectral studies. Solubility study and mechanical study using micro hardness methods have also been carried out. Furthermore, the thermal stability of the crystal was established by TG/DTA. The second harmonic conversion efficiency of the crystal was determined using the Kurtz and Perry powder technique and the activity observed was 3.83 times greater than that of KDP.
ISSN:0022-2860
1872-8014
DOI:10.1016/j.molstruc.2014.10.063