Abstract New N2O2 type Schiff base has been designed and synthesized by condensing 2,4 dihydroxy benzaldehyde and α-naphthylamine in ethanol. Solid metal complexes of the schiff base with Cu(II), Ni(II) and Zn(II) metal ion were synthesized and characterized by elemental analysis, magnetic susceptibility, molar conductance, IR, UV-Vis and ‘H NMR spectral studies. The data shows that the c...

The tetra azophenylcalix[4]arene with ortho-ester group was applied for determination of transition metal ions using spectrophotometer. In this case, the derivatives with ortho-ester group turned out the complexing formation selectively with transition metal ions over alkali, alkaline earth metal ions. From those, this study used the molecular mechanic method MM+ and molecular dynamic simulatio...

We have analyzed metal–ligand bonding in metallocenes using density functional theory (DFT) at the OPBE/TZP level. This level of theory was recently shown to be the only DFT method able to correctly predict the spin ground state of iron complexes, and similar accuracy for spin ground states is found here. We considered metallocenes along the first-row transition metals (Sc–Zn) extended with alk...

Chapter 21 Molecular modeling of transition metal complexes with nucleic acids and their constituents, 5y J. Kozelka Zinc complexes as targeting agents for nucleic acids, by E. Kimura and M. Shionoya Metallocene interactions with DNA and DNA-processing enzymes, by L. Y. Kuo, A. H. Liu and T. J. Marks .Evidence for a catalytic activity of. the DNA.double helix in the reaction 19etween DNA, platn...

Reductive elimination of carbon-carbon bonds occurs in numerous metal-catalysed reactions. This process is well documented for a variety of transition metal complexes. However, carbon-carbon bond reductive elimination from a limited number of Au(III) complexes has been shown to be a slow and prohibitive process that generally requires elevated temperatures. Herein we show that oxidation of a se...

Transition-metal complexes of 3-hydroxyflavothiones have been prepared and structurally characterized; the photochemical properties of these complexes have been examined and are discussed in the context of the use of these compounds as photodegradable pesticides.

A series of transition metal complexes involving non-innocent o-dithiolene and o-phenylenediamine ligands has been characterized in detail by various spectroscopic methods like magnetic circular dichroism (MCD), absorption (abs), resonance Raman (rR), electron paramagnetic resonance (EPR), and sulfur K-edge X-ray absorption spectroscopies. A computational model for the electronic structure of t...

The feasibility of using transition metal fragments to stabilize B2H4 in planar configuration by donating 2 electrons to the boron moiety is investigated. Building upon the existing theoretical and experimental data and aided by the isolobal analogy, the model transition metal complexes Cr(CO)4B2H4 (6), Mn(CO)CpB2H4 (7), Fe(CO)3B2H4 (8) and CoCpB2H4 (9) are chosen to illustrate this unique bond...

General synthetic routes to functionalized Cand B-substituted derivatives of nido-C9B4H8, C4B5H12, and C2B3H72 are described together with their use as buiTding-blociZ units in the planned construction of multidecker transition-metal sandwich complexes and related systems. Specifically discussed are (1) synthesis of C2B4 nido-carboranes containing sterically demanding and/or electronically acti...