Browsing Division of Chemical Sciences by thesis submitted date"2020"
Now showing items 1-20 of 48
-
Catalytic Studies with Ru and Ir Half-sandwich Complexes Bearing NHC Ligands
The thesis describes the study of arene-tethered and untethered Ru half-sandwich complexes as catalysts in the addition of hydroelements (E‒H, E = H, B, Si) across unsaturated C-C, C-N and C-O bonds and transfer hydrogenation ... -
Computational Study of General Relationships in Chemistry: C−C, C−N, and B−B Coupling, B−B Catenation, and 2D Metal Borides
Elements in the periodic table are categorized into four major blocks, main group (MG) elements, transition metals (TM), lanthanides (Ln), and actinides (An), which differ dramatically. Recent studies revealed some interesting ... -
The Crystal Form Diversity From Cocrystals To Eutectics: Design, Synthesis, Production And Property Evaluation
This thesis aims to design and synthesize organic molecules to generate properties like SHG, ferroelectric and dielectric. In continuation, we have done cocrystallization studies to study the trend in between the two ... -
Defect Engineering and Doping of 2D Transition Metal Dichalcogenides: A First-Principles Study
The foundation of the electronic industry is based on n-type and p-type semiconductor materials, which is obtained by the ubiquitously present point defects. The presence of defects affects the electronic and optoelectronic ... -
Design, Synthesis and Conformational Analysis of Hydrogen Bond Surrogate (HBS) Stabilized Helices in Natural Sequences. Helically Constrained Peptides for Potential DNA-Binding
Thesis titled, “Design, Synthesis and Conformational Analysis of Hydrogen Bond Surrogate (HBS) Stabilized Helices in Natural Sequences. Helically Constrained Peptides for Potential DNA-Binding”, describes the development ... -
Development of Novel NMR Methodology and Investigation of Challenging Chemical Problems
The thesis is entitled as "Development of Novel NMR Methodology and Investigation of Challenging Chemical Problems ". The research work reported in this thesis is mainly carried out in two directions. The initial focus ... -
Diversity and Structure-Property Correlation in Disordered Multicomponent Organic Crystal Forms
The search for new multifunctional materials continues unabated, and with the realization that in solids, the material property can be tailored using the variability provided by molecular and submolecular forces. Harnessing ... -
Electrochemical Conversion of Methyl Ketones to Esters
The need for sustainable and efficient organic synthesis has inspired chemists to embrace classic technologies like electrochemistry and photochemistry. In addition to being an environmentally benign method to synthesize ... -
Engineered Nanomaterials: Array-based Sensing of Biological and Chemical Analytes
Array-based sensing, also known as chemical nose/tongue analysis, offers an alternative platform for simultaneous differentiation of a wide range of analytes using a fixed number of cross-reactive receptors. The sensor ... -
Ethylene Glycol in the Liquid State: Structure, Conformation and Dynamics - A Study Using Ab Initio Molecular Dynamics Simulations
Ethylene glycol (EG) is an important organic molecule with unique properties and a wide range of applications. The EG molecule shares a structural motif with many biomolecules and serves as a part of the training set for ... -
Investigation of 1D nanostructures and heterostructures using electron microscopy
Inorganic colloidal nanocrystals are extensively used in various fields such as electronics, sensing, photonics, thermoelectrics and catalysis. The intriguing properties of these colloidal nanocrystals can be attributed ... -
Investigation of Weak Molecular Interactions by Multinuclear NMR Spectroscopic Techniques and Theoretical Computations
The work reported in this thesis contains extensive studies carried out to investigate the weak molecular interactions in small organic molecules by utility of multinuclear and multidimensional NMR spectroscopic techniques ... -
Investigations on the Pi Distortivity Problem and On the Use of Single Atom Thick Layers as Filters
It has traditionally been believed that pi-electrons stabilize the D6h structure of benzene. However, this was questioned both using theoretical arguments, as well as circumstantial, experimental evidence. The theoretical ... -
Local Structural Investigations of Composition-driven Changes in Inorganic Solid Solutions
A smaller sized dopant replacing a larger sized element in a compound creates chemical pressure, resulting in a contraction of the lattice parameter and likewise a “negative” pressure is created by substitution of larger ... -
Low Power Resistive Photon- and Gas- Sensors
Sensors, be it for temperature, pressure, acoustic, light or gas to name a few have become an indispensable part of human life. Light sensors or photodetectors have widespread usage in modern portable electronics as camera ... -
Mechanistic Understanding of Organic Solar Cells: A Detailed Investigation on Role of Förster Resonance Energy Transfer, Dielectric Constant and Exciton Dynamics
Organic solar cells (OSC) have been emerging as promising energy harvesting technology because of their low-cost fabrication, semitransparency, solution processability and ability to be produced in large scale using ... -
Modeling Magnetic Anisotropy in Single Chain Magnets
This thesis embodies work on modeling magnetic anisotropy in molecular magnets. Understanding the factors that govern the magnitude of anisotropy in these materials is crucial for tailoring molecules that can be used in ... -
New Class of Tricoordinate Boron Based Donor-Acceptor (D-A) Systems Exhibiting External Stimuli Responsive Properties, Delayed Emission and Room Temperature Phosphorescence
The main thrust of this thesis is the design and development of a new class of boron-based acceptors, with a substituent which maintains good electronic coupling between boron and the other substitutes on boron, without ... -
Nonequilibrium dynamics and thermodynamics of some single-particle activity-induced diffusive systems
In the mesoscopic world, diffusion is a ubiquitous process and it is usually explained by the Einstein’s theory of Brownian motion (BM). However, in the biological systems, some peculiar dynamical behaviors are observed ... -
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 ...