The solvent effect on the position of the carbonyl vibrational stretching of acetylferrocene in aprotic media was studied in this work. The solvent-induced shifts in this organometallic compound were interpreted in terms of the alternative reaction field model(SCRF-MO) proposed by Kolling. In contrast to the established trends for carbonyl groups in organic systems, the results suggest that the...

The past several years has witnessed a surge of interest in organometallic trihalide perovskites, which are at the heart of the new generation of solid-state solar cells. Here, we calculated the static conductivity of charged domain walls in n- and p- doped organometallic uniaxial ferroelectric semiconductor perovskite CH3NH3PbI3 using the Landau-Ginzburg-Devonshire (LGD) theory. We find that d...

In this paper, we show that the ambiphilic properties of some organic ligands in organometallic complexes may be retrieved readily from simple calculations in the framework of conceptual density functional theory (C-DFT): namely, the dual descriptor (DD) and the molecular electrostatic potential (MEP) of the ligands afford a rather straightforward interpretation of experimental trends such as t...

the tumors in which odontogenic differentiation is fully expressed are the odontomas. odontomas are considered as hamartomas rather than a true neoplasm. these tumors are composed of enamel, dentine, cementum and pulp tissue. it is most commonly associated with the eruption of the teeth. they are usually discovered on routine radiographic examination. in exceptional cases, the odontoma erupts i...

Fragment-based drug discovery (FBDD) has become a new strategy for drug discovery where lead compounds are evolved from small molecules. These fragments form low affinity interactions (dissociation constant (K(D)) = mM - μM) with protein targets, which require fragment screening methods of sufficient sensitivity. Weak affinity chromatography (WAC) is a promising new technology for fragment scre...

Goals and Scope The ICEBAMO meetings aim to facilitate interdisciplinary discussion on environmental and biological aspects of main-group organometals. have brought together researchers from the fields of toxicology, environmental sciences, analytical chemistry, biochemistry, and synthetic organometallic chemistry. ICEBAMO 2001 at the castle of Schieileiten, which is located about 50 km east of...

The solubility and solubility trends of organometallic complexes in supercritical carbon dioxide are reviewed. The influence of intermolecular forces, physical properties and the metal chelates on solubility is explored. A number of thermodynamic models used to predict the solubility behavior of organometallic complexes in supercritical carbon dioxide, and the advantages and limitations to thes...

Intermetallics (M1/M2) of abundant metals very different properties can substitute rare and precious for industrial catalysis. A challenge in this context is the atom-precise -efficient catalyst design at size regime ≤ 1 nm, where every metal atom counts. Along these lines thought we have been developing a novel way to generate libraries all-hydrocarbon (R*) ligated clusters [M1aM1b](R*)c. Thes...