Browsing Inorganic and Physical Chemistry (IPC) by thesis submitted date"2020"
Now showing items 1-15 of 15
-
Catalytic Studies with Ru and Ir Half-sandwich Complexes Bearing NHC Ligands
The thesis describes the study of arene-tethered and untethered Ru half-sandwich complexes as catalysts in the addition of hydroelements (E‒H, E = H, B, Si) across unsaturated C-C, C-N and C-O bonds and transfer hydrogenation ... -
Computational Study of General Relationships in Chemistry: C−C, C−N, and B−B Coupling, B−B Catenation, and 2D Metal Borides
Elements in the periodic table are categorized into four major blocks, main group (MG) elements, transition metals (TM), lanthanides (Ln), and actinides (An), which differ dramatically. Recent studies revealed some interesting ... -
Electrochemical Conversion of Methyl Ketones to Esters
The need for sustainable and efficient organic synthesis has inspired chemists to embrace classic technologies like electrochemistry and photochemistry. In addition to being an environmentally benign method to synthesize ... -
Ethylene Glycol in the Liquid State: Structure, Conformation and Dynamics - A Study Using Ab Initio Molecular Dynamics Simulations
Ethylene glycol (EG) is an important organic molecule with unique properties and a wide range of applications. The EG molecule shares a structural motif with many biomolecules and serves as a part of the training set for ... -
Investigations on the Pi Distortivity Problem and On the Use of Single Atom Thick Layers as Filters
It has traditionally been believed that pi-electrons stabilize the D6h structure of benzene. However, this was questioned both using theoretical arguments, as well as circumstantial, experimental evidence. The theoretical ... -
New Class of Tricoordinate Boron Based Donor-Acceptor (D-A) Systems Exhibiting External Stimuli Responsive Properties, Delayed Emission and Room Temperature Phosphorescence
The main thrust of this thesis is the design and development of a new class of boron-based acceptors, with a substituent which maintains good electronic coupling between boron and the other substitutes on boron, without ... -
Nonequilibrium dynamics and thermodynamics of some single-particle activity-induced diffusive systems
In the mesoscopic world, diffusion is a ubiquitous process and it is usually explained by the Einstein’s theory of Brownian motion (BM). However, in the biological systems, some peculiar dynamical behaviors are observed ... -
Photo-responsive Self-assembled Coordination Architectures and Their Applications
Development of nanomaterials that mimic enzyme-like catalytic activities (nanozymes) has drawn special attention in recent time. Nanozymes possess exclusive advantages over natural enzymes like high stability, large-scale ... -
Reversible Redox Switching of First Hyperpolarizability (Β) of Metallorganic Complexes
The concept of molecular switches has garnered enormous interest because of the vital role of these switches as components in molecular electronic/photonic devices, signal transmission and optical communication. Compounds ... -
Rotational Spectroscopic and Computational Studies on Inter/Intramolecular Bonding
The importance of non-covalent interactions cannot be undermined, as it permeates nearly every sphere of chemistry. The hydrogen bond is the most well-known and ubiquitous non-covalent interaction. In recent times similar ... -
Self-assembled Coordination Architectures & Donor- Acceptor Systems: Synthesis, Characterization and Applications
Self-assembled Coordination Architectures & Donor-Acceptor Systems: Synthesis, Characterization and Applications Atul Kumar The extraordinary ability of biological systems to develop complex and functional molecular ... -
Spontaneous Light Emission from Molecular Junctions
Abstract: The study of light emission [1] from a molecular junction is recently gaining research interest. This has direct relevance to develop novel optoelectronic devices [2] and to understand light-matter interaction ... -
Structural and Solvent Effects on Excited State Dynamics of Rhenium(I) Tricarbonyl α-Diimine Complexes: A Time-Resolved Spectroscopic and Computational Study
The nature of the lowest excited state in rhenium(I) complex with 1,10-phenathroline as ligand was first reported by Mark Wrighton and David. L. Morse. Since then many rhenium(I) complexes with different ligands having ... -
Studies on Layered Ternary Metal Chalcogenides: Electronic devices, Sensors and Electrocatalysis
Atomically thin two-dimensional (2D) materials have gained tremendous interest since the discovery of graphene in 2004 due to their unique physical and chemical properties. They have been used in various research fields ... -
Syntheses and Structure Elucidations of Co-crystal with Nicotinamide Co-former
Abstract : Co-crystals consist of two or more components that form a unique crystalline structure having unique properties. The components interact via non-covalent, ionic interaction, van der Waals interactions and π-π ...