Spectral, thermal, structural and DFT studies of new luminescent heterobimetallic MOF of lead and sodium based on diglycolic acid ligand having unusual coordination environment for photodegradation and antibacterial applications

Abstract

Single crystals of a new bimetallic MOF of diglycolic acid ligand with different metals such as sodium and lead have been synthesized via the gel-diffusion method. The Single crystal X-ray diffraction studies revealed that an unusual coordination environment arises due to the mutual coordination of both sodium and lead metals. The grown crystals was further characterized by FTIR, PXRD, TG-DTG, BET, and Photoluminescence studies. DFT studies of the bimetallic MOF implies a high electrophilicity index (5.3148 eV) that predicts high biomolecular binding capacity of the molecule. The complex under study has a hardness value of 1.7645 eV, indicating that the material is hard. The simulated PXRD is in good agreement with the experimental PXRD pattern which confirms the structural integrity of crystals within the bulk. The antibacterial activity as well as the degradation property of the material towards methylene blue was also studied in detail. The photocatalytic degradation and biological studies suggest that the grown crystals are found to be an effective material for the degradation of organic pollutant methylene blue and can be used for antimicrobial applications.