Third Order Nonlinear Optical Properties of Bis (Creatininium 2,4-Dichlorobenzoate) Monohydrate Organic New Single Crystal

Abstract

In this present work, organic nonlinear optical (NLO) material of bis (creatininium 2,4-dichlorobenzoate) (BCDC) crystal was well grown by slow evaporation method. Single crystal XRD data reveals that BCDC crystal in triclinic system with centrosymmetric space groupP1¯ . The functional groups presented in the grown crystal were confirmed by FT-IR and FT-Raman spectral studies. From the absorption and transmittance of UV-Visible spectrum, the lower cut-off wavelength of 310 nm was found in the UV region and good transmittance range of 65% in the visible region which is suitable for NLO application and the bandgap was found to be about 4.1 eV. The photoluminescence spectrum helps to detect crystallinity, crystalline defects and found red shift emission. Bond strength, fracture behavior, yield strength, brittleness index etc. were analyzed by Vickers microhardness test. The thermal stability of the material was confirmed by TG-DTA analysis. The nonlinear refraction (NLR), nonlinear absorption coefficient (NLA) and third order nonlinear susceptibility was investigated by Z-scan technique. Molecular geometry, Mulliken charge distribution, frontier molecular orbital analysis (FMO), natural bond orbital analysis (NBO) was computed by DFT calculations to the BCDC. The results of the investigations are presented in this article.