Browsing Division of Chemical Sciences by thesis submitted date"2023"
Now showing items 21-40 of 44
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Molecular Approaches and Structural Insights into Correlated Triplet Pair Dynamics in Intramolecular Singlet Fission
Singlet Fission (SF) is a bichromophoric process whereby a singlet exciton is converted to two triplet excitons through an overall spin-conserved process. The last decade has seen an upsurge in SF research driven by its ... -
N-Heterocyclic Carbene-Catalyzed Enantioselective Synthesis of Dihydrothiopyranones, Functionalized Benzofurans and Extending Michael Acceptor Aldimine Umpolung
Carbenes exhibit high reactivity as divalent species with six electrons in their valence shell. Their electrophilic nature arises from an incomplete octet. However, when a heteroatom is introduced adjacent to the carbene ... -
N-Heterocyclic Carbene-Catalyzed Synthesis of Oxazolones, e-Lactones and N-N Axially Chiral Molecules
The diverse reactivity of N-heterocyclic carbenes (NHCs) in organocatalysis is due to the possibility of different modes of action. Although NHC-bound enolates and dienolates were well-known, the NHC-bound cross-conjugated ... -
Nanomaterials for Magnetism and Catalysis
Nanomaterials possess unique physical and chemical properties allowing for advancement and innovation in diverse scientific and technological fields. The remarkable magnetic and catalytic properties of these nanomaterials ... -
Nuclear quantum effects in gas-phase systems with large amplitude motions: A study of 2-fluoroethanol, ethylene glycol, and H3O2
This thesis explores the role of nuclear quantum effects in selected systems containing large amplitude motion through path integral simulations. Recent works have explored molecules with such floppy modes and examined ... -
Orbital Engineering Directed Electronic Structure Studies: Design of Pseudo 𝜋 Aromatic Molecules, Borophenes and Borophites
The many ways of using three-membered rings as a design element in molecules and borophenes (2D sheets of boron) will be presented. The underlying design principles require constructing and manipulating molecular orbitals ... -
Photo magnetic Investigation and Magneto-structural Correlation of Switchable Molecular Magnetic Materials
Modern life without magnetic materials is almost impossible to imagine. Mobile phones, telecommunication, navigation, computer, television, credit cards, medical equipment, data storage devices, and sensors are an integral ... -
Room Temperature Phosphorescence and Circularly Polarized Luminescence Characteristics of Phosphine Oxides and Phosphoramides
Room temperature phosphorescence (RTP) materials have attracted much attention in recent years owing to their potential applications in organic light-emitting diodes (OLEDs), security writing, time-gated bio-imaging, ... -
Self-Assembled Coordination Architectures for Fluorescence Modulation, Photocatalysis, and Light Harvesting
Self-assembly and noncovalent interactions play a pivotal role in the design of complex, and intricate functional structures. Among several design approaches, metal-ligand coordinationdriven self-assembly has emerged as ... -
Self-Assembled Hosts for Applications in Guest Binding and Catalysis
Living organisms can perform complex chemical reactions precisely in the confined pockets of enzymes. In this regard, numerous aesthetic 2D and 3D discrete architectures have been constructed using metal-ligand coordination ... -
Solid Oxide Based Electrodes for CO2 Reduction
The conversion of CO2 to fuels can be instrumental in reducing future dependence on fossil fuels. High temperature (800oC) electrochemical reduction of CO2 to CO using a solid oxide electrolysis cell (SOEC) provides an ... -
Structural and Electrochemical Investigations of Monovalent and Divalent Aqueous Rechargeable Batteries
Several stringent laws and regulations have been enforced by various National/International agencies for the adoption of sustainable methods for energy production and usage. In recent times, electric grids based on alternative ... -
Structure and dynamics of quantum supercooled liquids:Insights from molecular dynamics simulations
Supercooled liquids are formed when a liquid is cooled below the melting temperature, avoiding crystallization. The system gets trapped in one of the many metastable states in the free energy surface. In supercooled state, ... -
Studies of Pyridoneimine in Site-Selective Functionalization of Carbohydrates and in Multivalent Phenomenon
Carbohydrates are functionally rich biomolecules with multiple hydroxy functionalities. As a result, the most often practiced chemical route is to install protecting groups that permit selective functionalization at the ... -
Studies on Bodipy-platinum(Ii/Iv) Conjugates for Cellular Imaging and Photodynamic Therapy
Cancer emerges from the abnormal proliferation of aberrant cells. Amidst a multitude of treatment options, chemotherapy is widely used as a viable methodology. Despite its widespread use, it is encumbered with significant ... -
Studies on chalcopyrite phosphides and phenolic acid-based derivatives towards lithium storage and chemical sensors
Li-ion batteries are among the highly promising power sources for many emerging technologies, including electric vehicles and smart grids. However, an increased demand for energy density and long cycle life cannot be ... -
Studies on Iron(III) Complexes for Cellular Imaging and Targeted Photodynamic Therapy
Cancer is caused by uncontrolled division of abnormal cells. Surgery, chemotherapy, and radiation therapy are most widely used for its treatment. However, due to serious limitations of these traditional treatment modalities, ... -
Syntheses and Structural Investigations of Iron(III) Ternary Complexes And Cu(II) Binary Complexes of Nucleotide and its Constituents
Nucleotide is the monomeric unit of DNA and RNA, being the building block of nucleic acid, it plays important roles in many biological processes. For example, Adenosine tri phosphate (ATP) acts as a storage and transporter ... -
Synthesis and Modulation-Doping of VO2 (001) Epitaxial Thin Film Heterostructures
Correlated electron materials (CEMs) host a rich variety of condensed matter phases. Vanadium dioxide (VO2) is a prototypical CEM that undergoes a temperature-driven metal-to-insulator transition (MIT) at ~340 K accompanied ... -
Synthesis and X-ray Crystallographic Studies of Salts, Co-crystals, Solvates of some Amine containing Active Pharmaceutical Ingredients and In-situ Cryo Crystallographic Studies on some Organic Liquids
Chapter I describes the general introductory note to describe the common terms like crystalline solids, properties, and their uses pharmaceutical industry. The definition of common terms like Salts, Co-crystal, solvates ...