Research Projects

The prime target of this project is to design a new NHCh that can significantly contribute to the luminescent metal clusters with suitable metal precursors since the metal-ligand charge transition (MLCT), ligand-ligand charge transition (LLCT), and ligand-counter ion charge transition (LXCT) have a crucial role to play in the luminescent behaviour of the metal-rich clusters. The new -donor NHCh ligand will be carefully picked to enhance the MLCT, LLCT, and LXCT transitions by disfavoring the triplet metal-centered charge transitions (3CC, MMCT). Subsequently, the reaction conditions will be meticulously optimized to isolate the desired metal-rich NHCh-M cluster materials. These new functional materials will be characterized by PI group using EA, HRMS, FTIR, multinuclear NMR, UV-vis, fluorescence, lifetime analysis, SCXRD, PXRD, SEM, EDAX and AFM techniques. The PI and CO-PI labs are capable of investigating basic photophysical studies using a Lab India UV-vis spectrometer and a fluorescence microscope, along with a Hitachi 4700S spectrofluorometer. Besides, the structural, electronic, and photophysical properties will be studied using Density Functional Theory (DFT), Time-Dependent Density Functional Theory (TD-DFT) calculations, Atoms-In-Molecules (AIM) analysis, and Natural Bond Orbital (NBO 7.0 analysis by PI research group. The software, such as Gaussian 9.0, Gauss View 6.0, and NBO 7.0, will be used for the theoretical studies. The theoretical calculations will be carried out at the B3LYP level of theory using def2-TZVP or an optimal valence basis set (based on the needs) for metal and 6-31G basis set for the carbon, nitrogen, hydrogen, sulfur, oxygen, etc. atoms. Besides, the Co-PI lab is capable of investigating the biocompatibility test and developing the nano formulation of the newly prepared biocompatible cluster materials. Subsequently, these molecules and nanomaterials will be utilized for the cancer theranostic study in the Co-PI's lab. Co-PI’s lab, which is equipped with the necessary equipment as listed, to investigate the medicinal applications of these newly developed materials.