Synthesis, structural elucidation and characterization of a new organic single crystal Guanidinium adipate monohydrate (GuAM) for nonlinear optical applications

Abstract

A slow evaporation solution growth process was employed to grow a new organic single crystal Guanidinium adipate monohydrate (GuAM) at room temperature. The structure refinement and cell specifications were elucidated using the X-ray diffraction method. Single crystal XRD study revealed that the grown crystal crystallized in the monoclinic system with unit cell dimensions a = 4.948 (9) Å; b = 16.770 (2) Å; c = 13.554 (2) Å; α and γ = 90.00⁰; β = 95.302⁰ (3), V = 1120.1(3) Å3 and Z = 4. The structure of the crystal was solved by direct method and refined by full matrix least-square method using SHELXL-2018/3 program. The crystalline nature of the sample was evaluated by powder X-ray diffraction (PXRD) study. Fourier transform infrared (FTIR) spectral study was employed to recognize the diverse functional groups present in the synthesized crystal. Optical attributes such as absorbance and emission nature of the GuAM were explored using UV–visible-NIR absorbance study and photoluminescence study respectively. The laser damage threshold value of the formed crystal has been determined by employing an Nd-YAG laser with a wavelength of 1064 nm. The mechanical nature of the GuAM was examined utilizing Vicker's microhardness test and other related parameters were also calculated. TGA-DTA analysis was utilized to estimate the title crystal's thermal stability. The Z-scan technique has been employed to gain insight into the third order nonlinear (NLO) parameters of the GuAM. These findings imply that guanidinium adipate monohydrate (GuAM), a grown single crystal, may be a viable choice for NLO applications.