Solid State and Structural Chemistry Unit (SSCU): Recent submissions
Now showing items 21-40 of 204
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Studies on Nanostructured Transition Metal Oxides and Related Composites for Supercapacitor Electrodes
Supercapacitors have acquired considerable scientific and technological position in energy storage field owing to their compelling power capability, good energy density, excellent cycling stability and ideal safety. ... -
Design of Electroactive Materials and Mechanistic Investigations of Metal (Li, Na, Mg)-Sulfur Batteries
The thesis entitled “Design of Electroactive Materials and Mechanistic Investigations of Metal (Li, Na, Mg)-Sulfur Batteries’’ deliberates on some of the important issues impeding the progress of metal sulfur battery (Li/S, ... -
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 ... -
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 ... -
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 ... -
Tuning crystal structures with weak interactions: From solid solutions to stoichiometric cocrystals
This thesis shows that when two organic compounds A and B are cocrystallized and the A∙∙∙B interactions are neither completely isotropic nor anisotropic enough to cause the formation of a stoichiometric cocrystal AxBy, ... -
Metal Sulphide Based Semiconductors for Solar Photon Energy Harvesting
Sun light is a relatively infinite source of energy available on the earth compared to all other renewable and non-renewable energy sources put together. Harvesting solar photons in an effective and efficient manner can ... -
Cocrystallization Studies Extending from Small Molecules to Proteins: a) Cocrystals, Salts and Eutectics, b) Chemical, Structural and Biological Evaluation of Anthrapyrazolones as Inhibitors of JNK proteins
In summary, we have designed and synthesized three halogenated derivatives of 1,9- pyrazoloanthrone. The involvement of halogen bonding provides highly directional interactions in the binding pocket and hence demonstrates ... -
High-Resolution Charge Density Studies on Electronic Nature of Weak Interactions and Correlation of Molecular Conformation with Packing in Solid State
The thesis entitled “High-Resolution Charge Density Studies on Electronic Nature of Weak Interactions and Correlation of Molecular Conformation with Packing in Solid State” consist of five chapters. Chapter 1 is a brief ... -
Protein Folding, Function and Aggregation Role of Co-solvents and Topological Frustration
Proteins are biological macromolecules formed by sequentially joining natural amino acids through peptide bonds. The sequence of amino acids in a protein chain determines its three dimensional structure under physiological ... -
The Effect of Gamma Radiation on Protein Structure and Dynamics
Gamma radiation being the most energetic form of electromagnetic radiation has applications in number of different fields such as in medicine for treating cancer, food sterilization and in astronomy for studying phenomenon ... -
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 ... -
Structure - Property Correlation in MA1-yFAyPbX3 (X = I, Br) Perovskites
Hybrid Organic-Inorganic Lead Halide Perovskites (HOIP) are represented by APbX3, where A is the methylammonium cation (MA: (CH3NH3)+) or the formamidinium cation (FA: (CH(NH2)2)+), X is halide anion. HOIP have emerged as ... -
From collective relaxation phenomena to phase separation in binary mixtures and some contributions to the hydration dynamics in the vicinity of biologically active molecules
The thesis presents detailed results of theoretical analyses based on extensive computer simulation studies with an aim to explore, quantify whenever possible, and understand the collective excitations, relaxation processes ... -
Design of Novel Protocols for Chiral Analysis and Exploring Hydrogen Bond Directed Conformations
The research work reported in this thesis is focused on the chiral analysis and exploring hydrogen bonding. In chiral analysis, the study is aimed at the introduction of new versatile chiral solvating agents (CSA) and also ... -
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 ... -
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 ... -
Electrochemical and Spectroscopic Investigations of Some Redox Active Biomolecules
The thesis attempts to ask a few questions related to heme electrochemistry and provide possible answers to these in terms of experimental results obtained and reported in the current literature. It is expected that the ... -
Studies on Soluble Lead Redox Flow Battery
Redox flow batteries (RFBs) offer an opportunity to make renewable energy storage more affordable and could accelerate prospects for utility-scale development of solar/wind energy storage. RFBs can be almost instantly ... -
Studies on switching of J and H aggregates in Donor-Acceptor molecular materials
The aggregation of molecular materials plays a central role in determining their functional properties. In the aggregated state, conjugated chromophores may exhibit enhanced emission, in comparison to their dilute ...