A novel nonlinear optical semi-organic single crystal of l-histidine methyl ester dihydrochloride was grown by slow evaporation solution growth method at an ambient temperature. The grown crystal was characterized by single crystal X-ray diffraction. Functional groups and the modes of vibrations were identified by FT–IR spectroscopy. The chemical composition of the crystal was confirmed by Energy dispersive X-ray analysis. The optical behavior of the crystal was examined by UV spectral analysis, which shows the absence of absorption between the wavelengths ranging from 230 to 1000 nm. The optical band gap of the grown crystal was estimated and is found to be 5.35 eV. The thermal behavior of the crystal was investigated by thermogravimetric and differential thermal analyses. The nonlinear optical property of the grown crystal was confirmed by the powder technique of Kurtz and Perry.
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