Crystal structure of single crystals of nonlinear optical l-histidinium trichloroacetate |
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| Institution: | 1. Department of Physics, Presidency College, Chepauk, Chennai 600 005, India;2. Sophisticated Analytical Instrument Facility, IIT, Chennai 600 025, India;3. Crystal Growth Centre, Anna University, Sardar Patel Road, Chennai 600 025, India;1. Department of Physics, Faculty of Arts and Sciences, Amasya University, 05100, Amasya, Turkey;2. Institute of Low Temperature and Structure Research, Polish Academy of Sciences, 50-950, Wroc?aw 2, P.O. Box 937, Poland;1. Petersburg Nuclear Physics Institute NRC “Kurchatov Institute”, Gatchina, St. Petersburg 188300, Russia;2. Department of Physics, Saint Petersburg State University, St. Petersburg 198504, Russia;1. Institute of Geology and Nature Management, Far Eastern Branch of the Russian Academy of Sciences, 675000 Blagoveschensk, Amur Region, Russia;2. Amur State University, 675027 Blagoveschensk, Amur Region, Russia;3. Chemistry of Interfaces, Luleå University of Technology, S-97187 Luleå, Sweden;1. Department of Physics, Dalian Maritime University, Dalian 110626, People’s Republic of China;2. Lab for Advanced Materials, Department of Chemistry, East China University of Science and Technology, Shanghai 200237, People’s Republic of China |
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| Abstract: | Single crystals of a new histidinium salt: l-histidinium trichloroacetate {abbreviated as LHTCA; (C3N2H4) CH2CH (NH3) (CO2)]+ CCl3COO?} were grown by slow evaporation of an aqueous solution at room temperature. The compound crystallizes in a non-centrosymmetric space group P21 of monoclinic system with cell parameters a = 5.4505(18) Å, b = 25.769(8) Å, c = 9.210(2) Å and β = 99.98(2)° with Z = 4. The structure has been refined to an R-value of 0.05 for 2539 observed reflections using three-dimensional X-ray diffraction data. The vibrational structure of the compound confirms the presence of various functional groups in the molecule. The UV–Vis–NIR spectrum shows a good transparency in the whole of the region from ultraviolet to near IR. The Kurtz–Perry powder SHG measurement confirms the frequency doubling of the crystal and its powder SHG efficiency was measured as deff = 0.33 deff (KDP). |
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