Solid State and Structural Chemistry Unit (SSCU): Recent submissions
Now showing items 41-60 of 214
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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 ... -
Studies on the synthesis and applications of I-III-VI2 semiconductor nanocrystals
Nanomaterials have been a topic of extensive research for the past several decades. This is because their properties act as a bridge between their bulk and atomic counterparts. Broadly, nanoparticles can be characterized ... -
A Study of Dissipative Phenomena in Semiconductor Nanocrystals
Quantum dots (QDs) are semiconductor nanoparticles, where carriers are confined in regions smaller than a few tens of nanometers. The physics governing the behavior of these nano structures are fundamentally different from ... -
New NMR Methods with high resolution and sensitivity for rapid data analysis
work is focused on: (i) Development of new fast and sensitivity enhanced NMR methods in solution state and their application to metabolomics and (ii) development of novel NMR methods in solution state for the rapid resonance ... -
Theoretical Studies of Skewed Spin Ladders and Polycyclic Aromatic Hydrocarbons
This thesis is an effort to understand electronic structure and optical properties of low-dimensional conjugated molecules such as polyatomic aromatic hydrocarbons and nanoribbons composed of perylene monomers in addition ... -
A Study of Synthesis and Optoelectronics of Copper Iron Chalcogenide Nanocrystals
Copper iron chalcogenides constitute a promising class of optoelectronic materials courtesy of their narrow bandgaps and earth abundant constitution. However, they are yet to receive the attention they deserve due to the ... -
Phase Modulated Selective NMR Methods for resolving overlapping spin systems and rapid data acquisition : Application in metabolomics
research work is focused on the development of new fast solution NMR methods for resolving overlapping spin systems and their application to NMR based metabolomics. In this work two new solution NMR pulse sequences are ... -
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 ... -
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 ... -
Synthesis, Structure, Optical, SHG and Multiferroic Investigations on Compounds derived from Mineral Structures
The present thesis provides a systematic investigation of compounds derived from different mineral structures. The compounds were explored for their optical, visible light-activated photocatalysis, Second Harmonic Generation ... -
Theoretical studies of chemical dynamics in complex systems: Nanoconfined water, microdroplets, biomolecular hydration layer, and water-mediated protein association
The thesis contains theoretical studies of the structure and dynamics in different complex systems. Depending on the systems and properties of interest we divide the thesis into five parts. In the first part, we study ...