Browsing Division of Chemical Sciences by thesis submitted date"2021"
Now showing items 21-40 of 49
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Extending Aryne Chemistry: Application to Insertion Reactions, Multicomponent Couplings, Molecular Rearrangements and Arylation Reactions
Arynes are highly reactive electrophilic intermediates, which can be utilized in various carbon-carbon bond-forming reactions including pericyclic reactions, insertion reactions, multicomponent couplings (MCCs), molecular ... -
Graphene based materials : Mechanistic insights into corrosion inhibition and supercapacitance
In the contemporary scenario, protecting metals and alloys from deterioration through the coating is the main concern that extracts worldwide attention. Although existing coating processes and methods such as epoxy ... -
Imidazole and NHC-Carbene based Coordination Architectures and Their Applications
Modern-day chemistry demands novel molecular materials having aesthetically pleasing structures along with fascinating chemical and physical properties. New synthetic strategies have been applied for structural modulation ... -
Interpretation of 2-Dimensional NMR spectra of small molecules
Nuclear Magnetic Resonance (NMR) spectroscopy has had an enormous effect in numerous areas of chemistry, biology, and medicine. Nuclear Magnetic Resonance (NMR) Spectroscopy is a unique analytical technique that permits ... -
Investigation into the Synthesis, Structure and Dielectric Property of Lead-Free Double Perovskite Structured Materials
Lead based materials have shown to be important materials showing high piezoelectricity, colossal dielectric constant, ferroelectricity along with their good mechanical behaviour and resistance to corrosion. As a result, ... -
Investigation on AxMn3O7 Class of Layered Oxides as Versatile Battery Cathodes: Structure and Electrochemistry
Rechargeable battery technologies have been the spotlight of global scientific research in the quest to address steadily growing energy demand. Currently, Li-ion batteries have unanimously occupied consumer electronic ... -
Layered Metal Dichalcogenides-Based Hybrid Devices for Resistive Sensing
During the past few decades, photodetectors (PDs) are being regarded as the crucial components of many photonic devices which are being used in various important applications. However, the PDs based on the traditional bulk ... -
Manipulation of Spin Dynamics and Multifaceted Applications of NMR Spectroscopy to Small Molecules
The investigations have been carried out in the thesis entitled as “Manipulation of Spin Dynamics and Multifaceted Applications of NMR Spectroscopy to Small Molecules” to address the challenging problems encountered in ... -
Microscopic Investigations of Dynamics of Linear Diatomics and Ions in Water and Aqueous Binary Mixtures
This thesis explores the structural and dynamical aspects of small, charged and neutral, solute molecules in both pure water and in aqueous binary mixtures, with emphasis on water-ethanol binary mixture. We employ both ... -
Microwave Rotation-Tunnelling Spectroscopic and Theoretical Studies on Weakly Bound Molecular Complexes: Intermolecular Bonding across the Periodic Table
Intermolecular interactions appear to be well understood in a broad sense today; at a deeper molecular level, it is still evolving. Spectroscopy in this isolated state proved to be a first step toward understanding the ... -
Minerals to Functional Materials: Comprehensive Evaluation of Vanthoffites and Related Materials towards Futuristic Multifunctional Applications
The thesis provides a systematic investigation of materials derived from different mineral species such as vanthoffite and related minerals structures. Search of new multifunctional materials continues to be a challenge ... -
N-Heterocyclic Carbene (NHC)-Catalyzed Stereoselective Synthesis of Six-Membered Heterocycles and Carbocycles
N-Heterocyclic carbene (NHC) based catalysis is employed for the generation of α,β-unsaturated acylazoliums followed by their interception with various nucleophiles, the formal [3+3] annulation reactions for the construction ... -
Non-covalent interactions in Crystals and Heterocycles of Sulphur and Selenium
Hydrogen bonding plays a very important role in the fields of both chemistry and biology. Conventionally it is represented as D-H---A, where D is the donor atom, A is the acceptor atom and H is the hydrogen atom. It has ... -
Novel and Fundamental Studies of Separation Methods Leading to Very High Degree of Separation of Molecular Mixtures and Related Studies
Separation of molecular mixtures will often require in chemistry, biology, physics and material science. Existing methods of separation can at best yield a separation factor of 10^4 . They also incur huge expenditure of ... -
Overcoming Challenges Associated with Designing of Thermoelectric Materials: DFT and Machine Learning Approaches
Search for clean and renewable energy resources has driven recent interest in designing thermoelectric materials that convert the waste heat to useful electricity. High performance thermoelectric materials require excellent ... -
Platinum(II)-BODIPY Conjugates for Organelle Targeted Photodynamic Therapy in Red Light
The serendipitous discovery of Cisplatin (CP, Peyrone's chloride) as an anticancer agent in 1965 by Barnett Rosenberg led to the evolution of other platinum-based anticancer drugs, namely, Carboplatin in 1989 and Oxaliplatin ... -
Quantum Phases and Magnetization Plateaus of Skewed Spin Ladders
This thesis deals with theoretical studies of skewed spin ladders which are two legged ladder with periodic slanted rung bonds and can be viewed as periodic fused rings with two different number of vertices. The spin at ... -
Rational Design of Efficient Catalysts using First-Principles and Machine Learning
Rising concerns about the impending energy crisis and environmental impact have garnered tremendous research interest in developing catalysts for sustainable fuel production and pollution abatement. However, the traditional ... -
Role of spin density and interchromophoric coupling in singlet fission
Singlet exciton fission (SEF) is the transformation of a photoexcited singlet exciton into two triplets localized on two chromophores coupled together. This process therefore produces two triplet excitons at the expense ... -
Shock Tube Investigation and Modeling of Dicyclopentadiene: Fundamental to Application
Dicyclopentadiene (DCPD), a homodimer of cyclopentadiene (C5H6) was chosen for the present study. DCPD can be obtained by dehydrogenation of JP-10 (jet propellant C10H16) which is currently used as aviation fuel. The ...