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Description
The subject of the present study is L-nitroargininium 5-sulfosalicylate (L-NNA∙5-SSA) crystal. The thermal properties, vibrational spectra, UV-Vis transmittance spectrum, Vickers hardness and second harmonic generation activity were experimental studied. The crystal and molecular structure of crystal was determined by the single-crystal X-ray diffraction method. L-nitroarginine exists as a monocation (L-NNA+) in the nitrimine form. The experimental and optimized lattice parameters of the crystal structure of L-NNA∙5-SSA (space group P212121) is presented in Table. The optimized unit cell volume was reduced by 6.24% for L-NNA∙5-SSA. The bands originating from the orbital electrons of oxygen (O), nitrogen (N) and carbon (C) are responsible for the formation of energy gaps of about 2.9 eV for L-NNA∙SSA. High-quality bulk crystals were grown. They exhibit dielectric and nonlinear optical properties.
Experimental and theoretical lattice parameters and asymmetric part of the unit cell of L-NNA∙5-SSA crystal.
Lattice parameters Exp. Theor.
a (Å) 13.26100 12.99463
b (Å) 15.38600 14.84202
c (Å) 17.83200 17.68802
α= β= γ (°) 90 90
Volume (Å3) 3638.3(3) 3411.4(3)
Acknowledgments: The research was supported by the Higher Education and Science Committee of MESCS RA (Research project № 24WS-1C022).