Solid State and Structural Chemistry Unit (SSCU): Recent submissions
Now showing items 41-60 of 205
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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 ... -
Co-solvent Induced Protein Collapse and Folding
An unfolded protein under favorable conditions navigates its complex energy landscape on a time scale of milliseconds to seconds and folds into a specific three dimensional structure. The mechanism of protein folding is ... -
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 ... -
Structure, Thermodynamics and Dynamics in Complex Systems: From Stability of Biomolecules to Phase Transitions in Polymorphic Ice
This thesis deals with the understanding of the structure, dynamics and thermodynamics in complex systems (proteins, hydration layers, DNA, ice polymorphs) by employing computer simulations, theoretical analysis, and in ... -
Molecular Dynamics Studies of Diffusion in Confined Regions
Diffusion of guest molecules under confinement of zeolites shows many interesting properties due to guest-host interactions. This thesis explores some of these interesting behaviours relating to the diffusion of guest ... -
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 ... -
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 ... -
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 ... -
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 ... -
Methodological Developments in NMR for Chiral Analysis using Selective Excitation
The NMR spectroscopy as usually practiced in isotropic achiral solvents is unable to differentiate enantiomers, unless the intermolecular diastereomeric interactions are imposed with an enantiomerically pure reagent. Chiral ...