Optical, structural, thermal and powder SHG investigations on 5-chlorosalicylaldehyde single crystals

Organic single crystals of 5-chlorosalicylaldehyde were grown by slow evaporation solution growth technique at room temperature. The crystal structure was analyzed by single crystal XRD and the title compound crystallizes in monoclinic system. Optical transmission studies were also carried out for the crystals. TG/DSC and photoconductivity studies were also taken for the grown crystals. The powder second harmonic generation efficiency of the crystal was tested using modified Kurtz and Perry technique and is about 2.66 times of KDP. In addition, theoretical first order hyperpolarizability and HOMO-LUMO properties were also performed for the crystal by using density functional theory.