Browsing Inorganic and Physical Chemistry (IPC) by Title
Now showing items 21-40 of 303
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Blue and Red Shifting H-Bonding in X−H···Y(X=C, O: Y = O, N, S) Complexes: A Gas Phase FTIR and ab initio Study
Regular H-bonding is essential for sustenance of many chemical and biochemical processes and has been investigated thoroughly since its discovery in the 1920’s. However, experimental finding of blue shifting of X-H stretching ... -
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 ... -
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 ... -
Charge and Heat Transport in Low-dimensional Quantum Systems
Transport of electrons through low-dimensional quantum conductors like nano-junctions has been actively pursued research area for the last few decades. Experimental studies on nano-junctions are nowadays routinely carried ... -
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 Ferrocene Conjugates Showing DNA Cleavage And Photocytotoxic Activity
(2013-06-26)Ferrocene is an important molecule in the field of chemical biology due to its stability, unique redox property and significant lipophilicity for better cellular delivery. The medicinal importance of ferrocene is well ... -
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, ... -
Chiral Bisphosphinites For Asymmetric Catalysis
(2010-07-21)Chiral bisphosphinites are well-documented alternatives for chiral bisphosphines as ligands that can be exploited in various asymmpetric syntheses. Particularly, vicinal biarylphophinite ligands give a seven membered chelate ... -
Cobalt-nhc Complexes and Diazabutadienes in Activation of Mono/Diboron Compounds and Their Application in C-b Coupling Reactions
Boronic acid(esters) have been well recognized as an indispensable coupling partner in the Suzuki-Miyaura cross coupling reactions producing a vast spectrum of molecules, applicable in the diverse field ranging from medicinal ... -
Computational Studies of Heavier Main Group Elements: Control of Lewis Acidity of Bi and Sb by Charge and Ligand Design, and Structural Variations of [Fe(CO)4]2E2 and E2CH2 Isomers (E = C–Pb)
Traditional main group compounds demonstrate Lewis acidity due to the presence of vacant p- orbitals. Hydrides of lighter main group elements, such as NH3, function as Lewis bases. However, introducing highly electronegative ... -
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., ... -
Computational Studies on Interstellar Molecular Species : From Formation to Detection
(2018-03-01)Initiated with the purpose of assigning the Fraunhofer lines in the solar spectrum to atomic transitions in the 18th century, the collaboration between spectroscopists and astrophysicists has remained fruitful, successful ... -
Computational Studies On Macropolyhedral Boranes And Metallaboranes
(2011-01-11)The analysis of nature of bonding in non-classical structures is always an intriguing area of research. Typical examples of such systems are polyhedral boranes that exhibit fascinating cluster bonding where the traditional ... -
A Computational Study of C-H Binding, C-H Activation and Fluxional Processes of d6 Half- Sandwich Complexes
(2017-11-24)Significant developments have been made in the field of C–H activation. However, various disadvantages, mainly low reactivity and selectivity, limit their usage in large-scale synthesis. It is crucial to understand the ... -
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 ... -
A Computational Study Of Nucleophilic Attacks In Organometallic Complexes
(2012-04-23)A wide variety of computational methods are available for exploring molecular structures and reactivity in chemistry. These range from molecular mechanics calculations allowing determination of the geometry of a molecule ...