Browsing by Advisor "Jagirdar, Balaji R"
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Aqueous Binary Mixtures: A Study Using NMR Measurements and ab initio Molecular Dynamics Simulations
Binary mixtures having a combination of hydrophobic and hydrophilic groups, such as waterdimethyl sulfoxide (DMSO), water-methanol, water-ethanol, water-tertiary butyl alcohol (TBA), water dioxane, and water-glycerol, ... -
Binding, activation, and oxidative addition of dihydrogen using Ir-pincer systems and implications in hydrogenation catalysis
Binding of unreactive small molecules, such as H2, N2, CO2, CH4, etc. on a transition metal center and their subsequent activation are fundamental problems that have been extensively studied in organometallic chemistry for ... -
Carbon aerogel supported first-row transition metal catalysts for methanolyis of ammonia borane
Ni-Ni3B, Co-B, and Co-Ni-B nanocomposites decorated on carbon aerogel were successfully synthesized by adopting the solution impregnation method. The nanocomposites were characterized by powder XRD, transmission electron ... -
Chemistry of bimetallic, chalcogenide and highly reactive metal nanoparticles
The remarkable modifications in the characteristics of materials on a nanoscale, caused by surface effects, quantum confinement, and dependence on shape, leads to diverse applications of nanomaterials, such as in catalysis, ... -
Chemistry of carbonized metallic nanomaterials
Magnetic nanomaterials have received significant attention because of their remarkable properties enabling applications in various fields such as catalysis, as contrast agents for magnetic resonance imaging, in sensing ... -
Chemistry of Ru(II) Complexes Bearing N-heterocyclic Carbene, Hydride, and Dihydrogen Ligands : Synthesis, Mechanistic Insights, and Applications
Introduction N-heterocyclic carbenes (NHC) are strong donors and weak acceptors. Also, NHC forms strong metal-carbon bonds in metal complexes and hence complexes bearing NHC ligands are in general, thermally stable. ... -
Chemistry of Ru(II) Complexes Bearing Sigma Bonded H-X (X = H, Si, C) Species/Fragments
(2018-04-11)Introduction The chemistry of transitional metal complexes bearing σ-bonded H−X (X = H, Si, C) species/fragments, the so called σ-complexes, are key intermediates in catalytic processes such as hydrogenation, hydrosilylation, ... -
Computational Studies of the Electronic Structures and Ring Contraction Reactions of Pn (n=4-6) Ring in Double and Triple Decker Complexes, and an Orbital Engineering Approach to Stabilise Borozene (B6H6)
The well established chemistry of ferrocene1-3 and different sandwich scaffolds4,5 with organic rings prompted us to explore the electronic structures and reactivity of sandwich complexes involving inorganic rings, i.e., ... -
Design and Development of Hybrid Catalyst for Hydrogen Storage: A Demonstrative Concept using Liquid Organic Hydrogen Carriers (LOHCs)
The urgent need to address CO2 emissions resulting from the industrial revolution has placed a strong emphasis on the reduction of greenhouse gases. As a result, hydrogen has gained significant attention as a sustainable ... -
Highly Reactive Ru(II) Complexes Stabilized by Agostic Interaction/N2 Binding: Small Molecule Binding and Utility in Hydrogenation Catalysis
Binding and activation of chemically inert and strong sigma H−X bonds (X = H, B, Si, C) in small molecules such as H2, H3B.NR3, HSiR3, and CH4 have been the subject of intense research interest. The binding of a small ... -
Influence of Ancillary Ligands in the Chemistry of Transition Metal σ-Complexes
(2017-09-27)This thesis work is based on an investigation of intermediates involved in various metal mediated catalytic reactions such as hydrogenation, hydroboration, functionalization of methane etc. An intermediate dictates the ... -
Mapping The Reaction Coordinate For The Oxidative Addition Of Molecular Hydrogen To A Metal Center
(2010-07-15)The binding of molecular hydrogen to a metal center leads to the elongation of the H−H bond and subsequently to its cleavage along the reaction coordinate for the oxidative addition of H2. There has been considerable ... -
Materials For Hydrogen Generation, Storage, And Catalysis
(2013-01-22)Hydrogen, nature’s simple and the most abundant element has been in the limelight for the past few decades from the stand point of the so-called hydrogen economy. With a high calorific value (142 MJ/kg) that is three times ... -
Modulation of Nanostructures in the Solid and Solution States and under an Electron Beam
(2018-03-26)Among various nanomaterials, metal nanoparticles are the widely studied ones because of their pronounced distinct properties arising in the nanometer size regime, which can be tailored easily by tuning predominantly their ... -
Nanomaterials for Magnetism and Catalysis
Nanomaterials possess unique physical and chemical properties allowing for advancement and innovation in diverse scientific and technological fields. The remarkable magnetic and catalytic properties of these nanomaterials ... -
Rational Synthesis, Stabilization, and Functional Properties of Metal and Intermetallic Nanoparticles
(2018-04-11)The confluence of intriguing size and morphology dependent optical and chemical properties with versatile application in various fields, such as energetic and magnetic makes monometallic nonmaterial of high fundamental ... -
A Study on Digestive Ripening Mediated Size and Structure Control in Nanoparticles Prepared by Solvated Metal Atom Dispersion Method
(2017-12-16)Recent advancements in nanotechnology and emerging applications of nanomaterials in various fields have stimulated interest in fundamental scientific research dealing with the size and structure controlled synthesis of ... -
Synthesis of Metal and Metal Oxide Nanosponges for Hydrogen Storage and Catalytic Applications
(2017-11-28)Nanoporous metal represents a particular form of a metal, which combines the characteristics of metals, such as good thermal and electrical conductivity, catalytic activity with the materials properties characteristic of ... -
Synthesis, Characterization, and Reactivity Studies of Au, Ag, and Pd Colloids Prepared by the Solvated Metal Atom Dispersion (SMAD) Method
(2018-07-28)Surfactant bound stable colloids of Au, Ag, and Pd were prepared by the solvated Metal Atom Dispersion (SMAD) method, a method involving co-condensation of metal and solvent vapors on the walls of a reactor at 77 k. The ...