Browsing Division of Chemical Sciences by Title
Now showing items 723-742 of 1480
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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 ... -
Nucleophilic Addition reactions of 2-Aza-allyl anion: Application to the Total Synthesis of Natural Products
The thesis entitled “Nucleophilic Addition reactions of 2-Aza-allyl anion: Application to the Total Synthesis of Natural Products’’ is divided into two sections with an appendix. First section of the thesis details the ... -
Nucleophilic Boron Chemistry: Catalytic approaches to C-X (X= Br, Cl, O, N) Bond Activation in Metal/Metal-free Conditions
The boron-carbon bond occupies a central position in organic synthesis, functioning as a versatile “universal connector” to a broad range of functional groups. As a result, organoboranes have become indispensable synthetic ... -
On new sulphanilamide drugs : N1-substituted sulphanilamide derivatives of S-alkylisothioureas and S-alkylisothiosemicarbazides
The present thesis consists of three parts, all of them dealing generally with synthetic drugs consisting of N?-substituted sulphanilamide derivatives of S-alkyl-isothioureas and S-alkyl-isothiosemicarbazides. Part I This ... -
On the Development of Repetition-Rate Scalable Multidimensional Spectroscopy
Pump-probe (PP) spectroscopy is a powerful and now routine time-resolved spectroscopic technique that routinely probes the non-equilibrium electronic and nuclear motions with sub-10 fs temporal resolution. PP spectroscopy ... -
On the Origin of Parasitic (Electro)Chemistry in Rechargeable Aprotic Metal-Oxygen Batteries
Aprotic metal-oxygen batteries, especially Li-O2 and Na-O2 batteries, could afford theoretical specific energies in excess of 1000 Wh/kg. However, the practical realization of the theoretically possible high specific ... -
On the role of vibrational-electronic couplings in dictating the ultrafast photophysics of molecular dyads
Ultrafast energy and charge transfer driven by coupled vibrational–electronic (“vibronic”) motions is a central topic in much of photochemistry and photophysics. Accurately describing the quantum dynamics requires an exact ... -
One-Pot Synthesis Of Chiral Disulfides & Diselenides From α-Amino Acids Mediated By Ammonium Tetrathiomolybdate In Water
(Indian Institute of Science, 2007-03-27)We have described herein a convenient one-pot synthesis of lisulfides/diselenides from a-amino acids mediated by ammonium etrathiomolybdate in water. (Figure 1) (Figure) Figure 1 Transformation of α-amino acids ... -
Optical and Structural Studies of Nanocrystal Assemblies
In my thesis I have delved into studying nanoparticle assemblies that can be applied to different types of applications. For example, certain types of nanoparticles can be utilized as quantum light sources or a different ... -
Optimization of Li Storage in Graphitic Materials through Tuning of Electronic Structures
In the current scenario of global warming, pollution and the very limited resources of fossil fuels, Li ion batteries show great promises to fulfil the energy demand of modern civilization without harming the environment. ... -
Optimizing Light Absorption and Nanomorphology in Organic Solar Cells and Near-IR Photodetectors with Ternary Blend Approaches
Solution-processed Organic Solar cells (OSCs) are a promising renewable energy solution due to their solution-processable roll-to-roll fabrication, semitransparency, lightweight, and flexibility. Significant efforts have ... -
Opto-electronic Properties of a Few Dimensionally Controlled Hybrid Halides and Related Systems
To mitigate the adverse environmental effects of burning fossil fuels, it became necessary to explore alternative ‘clean’ renewable energy sources to meet the ever-increasing energy demands. While silicon-based solar cell ... -
Optoelectronic and Magnetic Properties of 2D Layered Organic-Inorganic Hybrids and Selected Transition Metal Oxides
Perovskites with the general chemical formula ABX3 can be categorized into oxides and halides depending on the nature of the X anion. 3D organic-inorganic halide perovskites are extensively studied in the context of solar ... -
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 ... -
Organic Fluorine in Crystal Engineering : Consequences on Molecular and Supramolecular Organization
(2018-04-06)The thesis entitled “Organic fluorine in crystal engineering: Consequences on molecular and supramolecular organization” consists of six chapters. The main theme of the thesis is to address the role of substituted fluorine ... -
Organic Imine Cages : Self-Sorting and Application
(2017-11-14)Biological systems have the incredible ability to accomplish uncommon chemical transformations with supreme delicacy. Many of those chemical transformations take place within the pocket of enzymes, which provide unique ... -
Organic Transformations in the Confined Cavity of Self-Assembled Pd(II) Molecular Containers
Biological systems utilize its extraordinary ability to develop complex and functional molecular assemblies employing reversible non-covalent interactions. These natural aesthetic examples motivated synthetic chemists ... -
Organic Transformations in Water : Synthetic and Mechanistic Studies towards Green Methodologies
(2018-04-12)This thesis entitled “Organic Transformations in Water: Synthetic and Mechanistic Studies towards Green Methodologies” is in two parts. Part-I describes various synthetic studies aimed at developing improved methodologies; ... -
Organically-Templated Open-Framework And Hybrid Materials
(2008-01-25)Open-framework inorganic and inorganic-organic hybrid materials constitute an important area of study in materials chemistry, because of their potential applications in areas such as sorption and catalysis. Besides ...