Synthesis and crystal growth of cadmium naphthoate crystal for second order non-linear optics and cytotoxic activity

Abstract

A new organometallic crystal diaquo-di(2-hydroxy-1-naphthoate)-cadmium(II) was synthesized by slow evaporation method and characterized for optical, spectral, thermal and biological applications. Single crystal X-ray diffraction revealed that the crystal structure was monoclinic with C2 space group. The crystal perfection and atomic packing of the grown crystal were also analyzed. The presence of functional groups and different vibrational modes were studied from IR spectra. Various decomposition stages and thermal stability of the grown crystal was studied from TG-DTA data. Molar conductance and dielectric of the complex were determined. Energy Band gap, refractive index, skin depth and extinction coefficient of the crystal were calculated from UV-Visible absorption studies and by using Kurtz powder method, the second harmonic generation (SHG) efficiency was examined. In addition, the crystal was investigated for its anticancer activity on lung cancer and breast cancer cells. Using AutoDock Vina software, the binding pattern of the crystal was investigated toward target proteins Leu 862, Glu 793, Trp 796, Gln 858, Tyr 857 and Lys 861.

Graphical Abstract

Keywords:

• Crystal growth
• single crystal XRD
• non-linear optical material
• cytotoxicity
• molecular docking

Additional information

Funding

The authors wish to acknowledge GRG Trust, Coimbatore, Tamilnadu for the support provided for this work. This paper was supported by the KU Research Professor Program of Konkuk University, Seoul, South Korea.