Browsing Inorganic and Physical Chemistry (IPC) by Subject "Research Subject Categories::NATURAL SCIENCES::Chemistry::Inorganic chemistry"
Now showing items 1-20 of 73
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Analytical models of selected stochastic processes in condensed phase systems
This thesis is a record of the research I have carried out over the last five years to understand a selection of problems in the broad area of single-molecule physics. These problems cover four broad themes: (i) dynamically ... -
Aqueous and Non- aqueous dispersions of MoS2 Nanosheets
The focus of this thesis is an attempt to provide a molecular perspective of the interactions of solvent and ligand molecules with sonication assisted exfoliated MoS2 nanosheets in aqueous and non-aqueous dispersions. In ... -
Aqueous Binary Mixtures: A Study Using NMR Measurements and ab initio Molecular Dynamics Simulations
Binary mixtures having a combination of hydrophobic and hydrophilic groups, such as waterdimethyl sulfoxide (DMSO), water-methanol, water-ethanol, water-tertiary butyl alcohol (TBA), water dioxane, and water-glycerol, ... -
Atto-second Dynamics in Molecular Systems
The thesis describes the attosecond dynamics of small molecular systems, focusing on ionization delay times and hole migration delay times. These time delays are some of the fastest events in electronic dynamics. When an ... -
B, N containing π- conjugated systems: room temperature phosphorescence, fullerene complexation, and cell differentiation
Advances in heteroatom (B, N, and B-N) incorporated π-conjugated systems have attracted considerable attention because of their desirable properties and widespread applications. Substitution of isoelectronic B–N units for ... -
Binding, activation, and oxidative addition of dihydrogen using Ir-pincer systems and implications in hydrogenation catalysis
Binding of unreactive small molecules, such as H2, N2, CO2, CH4, etc. on a transition metal center and their subsequent activation are fundamental problems that have been extensively studied in organometallic chemistry for ... -
Blue and Red Shifting H-Bonding in X−H···Y(X=C, O: Y = O, N, S) Complexes: A Gas Phase FTIR and ab initio Study
Regular H-bonding is essential for sustenance of many chemical and biochemical processes and has been investigated thoroughly since its discovery in the 1920’s. However, experimental finding of blue shifting of X-H stretching ... -
Chemistry of bimetallic, chalcogenide and highly reactive metal nanoparticles
The remarkable modifications in the characteristics of materials on a nanoscale, caused by surface effects, quantum confinement, and dependence on shape, leads to diverse applications of nanomaterials, such as in catalysis, ... -
Chemistry of carbonized metallic nanomaterials
Magnetic nanomaterials have received significant attention because of their remarkable properties enabling applications in various fields such as catalysis, as contrast agents for magnetic resonance imaging, in sensing ... -
Cobalt-nhc Complexes and Diazabutadienes in Activation of Mono/Diboron Compounds and Their Application in C-b Coupling Reactions
Boronic acid(esters) have been well recognized as an indispensable coupling partner in the Suzuki-Miyaura cross coupling reactions producing a vast spectrum of molecules, applicable in the diverse field ranging from medicinal ... -
Design and Application of Self-Assembled Coordination Cages for Catalysis and as Drug Carrier
In summary the present thesis accounts for the design and synthesis of various coordination cages formed through the self-assembly reaction of the newly designed pyridine and pyrimidine based ligands with various 90° ... -
Design and Development of Hybrid Catalyst for Hydrogen Storage: A Demonstrative Concept using Liquid Organic Hydrogen Carriers (LOHCs)
The urgent need to address CO2 emissions resulting from the industrial revolution has placed a strong emphasis on the reduction of greenhouse gases. As a result, hydrogen has gained significant attention as a sustainable ... -
Design Strategies for Janus and Core–Shell Structures and Single- Ion Conducting Membranes Based on Hyperbranched Polymers
Hyperbranched polymers (HBPs) are a class of highly branched macromolecules characterized by their low melt viscosity, high solubility, and numerous terminal functional groups amenable to chemical modification.1 Janus ... -
Design, Synthesis and Optical Characterization of 1,8-Naphthalimide based D-pi-A System
Design, Synthesis and Optical Characterization of 1,8-Naphthalimide based D-pi-A System Luminescent materials find a lot of application in the field of OLEDs and bio-medical applications [1-2]. Our group has recently ... -
Developing a tunable, adaptive plasmid selection system to screen Aminoacyl-tRNA synthetase variants
The genetic code refers to a set of rules used by living organisms to translate information encoded within the genetic material (DNA/mRNA sequences) into proteins. All organisms generally encode 22 proteinogenic or canonical ... -
Development and Applications of Portable Raman Spectroscopy Combined with Artificial Intelligence for Biomedicine
Currently, the global spectroscopic community is investigating the suitability of vibrational spectroscopy methods for point-of-care testing, histopathology, and rapid in-vivo biomedical diagnostics. Although Raman ... -
Dynamics of Quantum Supercooled Liquids: A Mode Coupling Approach
In this thesis, I use the quantum mode coupling theory (QMCT) formulation to study the dynamics in a supercooled liquid to understand how quantum fluctuations affect the liquid-glass transition. I calculate the Kubo-transformed ... -
Exploring Single-Chain Collapse Transition in Periodically Grafted Amphiphilic Polymers
Synthetic polymers that emulate the complexity and responsiveness of biological macromolecules are at the forefront of modern materials research. One challenge in this field is to design polymer systems that can fold or ... -
Guest Induced Structural Transformations of Coordination Cages and their Role in Mediating Chemical Conversions
Enzymes utilize several non-covalent interactions to perform catalytic reactions within small cavities. Coordination driven self-assembly has been found to be the simplest approach for constructing artificial enzyme ... -
Highly Reactive Ru(II) Complexes Stabilized by Agostic Interaction/N2 Binding: Small Molecule Binding and Utility in Hydrogenation Catalysis
Binding and activation of chemically inert and strong sigma H−X bonds (X = H, B, Si, C) in small molecules such as H2, H3B.NR3, HSiR3, and CH4 have been the subject of intense research interest. The binding of a small ...