A5030145443- Inorganic Fluorides and Related Compounds
- Advanced Chemical Physics Studies
- Photochemistry and Electron Transfer Studies
- Crystallography and molecular interactions
- Nanocluster Synthesis and Applications
- Organic Light-Emitting Diodes Research
- Inorganic Chemistry and Materials
- Carbon dioxide utilization in catalysis
- Radical Photochemical Reactions
- Free Radicals and Antioxidants
- Ammonia Synthesis and Nitrogen Reduction
- Molecular Junctions and Nanostructures
- Gold and Silver Nanoparticles Synthesis and Applications
- Advanced Nanomaterials in Catalysis
- Molecular Spectroscopy and Structure
Cotton University
2022-2024
Silver and gold nanoclusters are promising nanomaterials for various applications such as sensing, catalysis, bioimaging. However, their synthetic control repeatability, determination of structures highly complicated. Only a handful crystal silver (AgNCs) have been reported, while few others reported with the help mass spectrometry. We synthesized two AgNCs, viz., Ag-MBTNC (Ag16 cluster) Ag-MBINC (Ag18 respectively stabilized by 2-mercaptobenzothiazole (2-MBT) 2-mercaptobenzimidazole (2-MBI)...
Quantum chemical calculations were carried out to investigate the noble gas binding ability of Be3 B+ cluster. Calculations reveal that heavier atoms (ArXe) form stable complexes with this Detailed bonding analyses act as donor fragment in formation Ng → Be donor-acceptor bonds. Three can consecutively bonds atom
Abstract Quantum chemical calculations were carried out to investigate the nature of bonding between a neutral Be 3 ring and noble gas atom. Electronic structure calculation for these complexes was at different computational levels in association with natural bond orbital, quantum theory atoms molecules, electron localization function, symmetry adapted perturbation theory, molecular electrostatic potential surface analysis complexes. The moiety are chemically bonded one another, BeBe...
The structure and stability of noble gas (Ng) bound [NHCM]
ABSTRACT Experimental and theoretical studies over the recent years have shown that noncovalent interactions play a crucial role in diverse chemical biological processes. Noncovalent been recognized as significantly contributing towards stabilizing various supramolecular species. We attempted to interpret computationally nature of between aromatic surfaces 6‐phenyl‐1,3,5‐triazine biphenyl with polar well non‐polar molecules such H 2 O, HCl, HF, CO , so forth adding inter‐aromatic rings...
Charge Transfer (CT) molecular complexes have recently received much attention in a broad variety of fields. The time-dependent density functional theory (TDDFT), which is essential for studying CT complexes, well-established tool to study the excited states relatively large systems. However, when dealing with donor-acceptor molecules characteristics, TDDFT calculations based on standard functionals can severely underestimate excitation energies. Here, we demonstrate that reliably be used...
We report solvent-dependent excited state properties of three difuranone derivatives with a quinoidal backbone by steady-state and lifetime fluorescence measurements theoretical calculations. Remarkable bathochromic shifts in diminished intensity indicate the occurrence strong intramolecular charge-transfer transitions high polar solvents. Cyclic voltammetric redox potentials reveal an interesting variation biradical characters compounds increasing solvent polarity. Solvent polarity also...