کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1522984 | 1511826 | 2012 | 11 صفحه PDF | دانلود رایگان |
A centrosymmetric crystal structure has been determined by single crystal X-ray diffraction analysis of Hydroxyethylammonium Picrate (HEAP) crystals. It is mentioned for the first time in the literature for its monoclinic structure crystallizing in centrosymmetrical space group P21/c which is basically a donor acceptor organic material grown by slow evaporation solution growth technique. We used Fourier Transform Infra Red and Raman spectroscopy to study the intermolecular interactions present in the 1:1 combination of picric acid and ethanolamine. Optical, mechanical and thermal stabilities of the title crystal were carried out to propose the material for useful applications. Z-scan is used to measure the effective third-order nonlinear optical susceptibility, which is found to be 3.24 × 10−3 esu. The negative sign of the nonlinear refractive index n2 = −9.2 × 10−5 cm2 W−1, indicates that this material exhibits self-defocusing optical nonlinearity. We also report the details of theoretical studies of the macroscopic nonlinear optical properties and molecular orbital calculations by quantum chemical calculations.
► The structure is new and is not reported so far in the literature.
► The complete studies in the manuscript have been reported for the first time for HEAP crystal.
► Large third-order nonlinear susceptibilities assert the aptness of crystal for THG applications.
Journal: Materials Chemistry and Physics - Volume 134, Issues 2–3, 15 June 2012, Pages 736–746