Strained ring systems such as cyclobutanes offer unique opportunities for synthetic innovation. Its significant ring strain, caused by compressed bond angles, presents synthetic challenges; however, this same strain renders the ring a valuable handle for a ...
Water free, non-oxidative catalytic dehydrogenation of methanol to formaldehyde is an important process for the formation of anhydrous, molecular formaldehyde (FA). Sodium or sodium-containing salts were shown to catalyze the reaction, but their reaction m ...
This study addresses the visible light-induced bacterial inactivation kinetics over a Bi2WO6 synthesized catalyst. The systematic investigation was undertaken with Bi2WO6 prepared by the complexation of Bi with acetic acid (carboxylate) leading to a flower ...
Direct incorporation of Ni adatoms during graphene growth on Ni( 111) is evidenced by scanning tunneling microscopy. The structure and energetics of the observed defects is thoroughly characterized at the atomic level on the basis of density functional the ...
Defects are key to enhance or deploy particular materials properties. In this thesis I present analyses of the impact of defects on the electronic structure of materials using combined experimental and theoretical Electron energy loss spectroscopy (EELS) i ...
The cyclopentane scaffold has attracted much attention due to its ubiquity in numerous bioactive natural products such as prostaglandins and polyquinanes. However, despite a plethora of available procedures to access this motif, a lack of methods that riva ...
Selective catalytic synthesis of Z-olefins has been challenging. Here we describe a method to produce 1,2-disubstituted olefins in high Z selectivity via reductive cross-coupling of alkyl halides with terminal arylalkynes. The method employs inexpensive an ...
A rapid and accurate in-vitro drug metabolism strategy has been proposed based on the design of a biomimetic nanoreactor composed of amino-functionalized periodic mesoporous organosilica (NH2-PMO) and microsomes. The amphiphilic and positive charged NH2-PM ...
We applied density functional theory based on ultrasoft pseudopotentials to study the structural properties of Ir-4 clusters both in the gas phase and adsorbed on a MgO(100) surface. To resolve the discrepancy between experimental data which suggest a tetr ...
We recently proposed a structural model for the Si!331"-!12!1" surface reconstruction containing silicon pentamers and adatoms as elementary structural building blocks. Using first-principles density functional theory we here investigate the stability of a ...
The Diels-Alder reaction has been examd. in room temp. ionic liqs. with high molar concns. of Lewis acids under various conditions. A molar ratio of 10% catalyst gave a large increase in the selectivity and the yield of the reaction. The effect of catalyst ...
Organophosphorus compounds found applications in varied fields of the organic chemistry: they are particularly present in natural compounds such as the deoxyribonucleic acid (DNA) and in the field of catalysis in which their utility is also proven. Thus, t ...
The excitation of a surface plasmon polariton (SPP) wave on a metal-air interface by a diffraction grating under monochromatic normal illumination is investigated numerically. The influence of the different experimental parameters (grating thickness, perio ...
