Experimental and theoretical investigation of imidazolium cations into enantiomeric tartrate host lattice bulk crystal growth for piezoelectric and nonlinear optical applications

Abstract

Growth of bulk size Nonlinear Optical (NLO) single crystals with higher transparency and higher crystalline perfection and their studies towards NLO device fabrication have gained a great deal of attention due to their importance for both intellectual as well as commercial research. The proposed thesis is divided into seven chapters, deals with the experimental and theoretical investigation of imidazolium cations into an enantiomeric tartrate host lattice: bulk crystal growth for piezoelectric and NLO applications. Chapter 1 begins with a brief introduction about the crystal growth methods and density functional theory. The nonlinear optics related to the refractive index, birefringence, Second Harmonic Generation (SHG), prism coupler method and phase matchable condition for uniaxial and biaxial crystals and piezoelectric effect are discussed. In addition, the influence of Hydrogen bonding on the alignment of host-guest in imidazolium derivatives for SHG and piezoelectric application are discussed. Chapter 2 discusses the single 2-ethylimidazolium D-tartrate (2EIMDT) crystal with chemical formula C9H14N2O6, which was grown by slow evaporation solution method. The structure of the grown crystal was determined using FT-IR, 1H NMR, 13C NMR spectroscopy, and powder XRD analysis. The crystalline perfection of the (1 0 0) and (0 0 1) planes grown crystal was investigated by high resolution X-ray diffraction studies. Kurtz and Perry powder SHG test reveals that 2EIMDT crystal is a NLO material and the UV-vis-NIR spectrum shows good optical transmittance in the wavelength region of 250-1100 nm. Thermal properties of the grown crystal were studied by TG-DTA studies. newline