Abstract
An organic crystal, 1,4-phenylenebis(methylene)-bis(triphenylphosphinium) picrate (abbreviated as [TPPBzTPP][PIC]2) was grown by a slow evaporation solution growth technique and characterized by elemental analysis, spectroscopy, thermal analysis, powder and single crystal XRD. The new picrate crystallize in triclinic space group P−1 and consists of [TPPBzTPP]2+ cation and two picrate anions. Experimental vibrational bands (IR and Raman) have been discussed and assigned. The HOMO-LUMO energy gap explains the charge transfer interaction in the molecule. TG-TDA technique reveals that the material was stable up to 280.7 °C. In addition, [TPPBzTPP][PIC]2 showed good antibacterial activities against Escherichia coli and Staphylococcus aureus. The results of DFT calculation indicated that the first hyperpolarizability value (βtot) of the crystal is 20.85 times that of KDP, which exhibited good nonlinear optical properties.
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