Transition metal complexes containing Schiff base ligands are of interest to model the active sites of biologically important molecules. In particular, Schiff base derivatives of hydrazones exhibit various bioactivities and play vital role in certain physiological functions as well. Hydrazones and their metal complexes exhibit wide range of biological and pharmaceutical activities that includes...

Transition metal–boron complexes BnM have been predicted at density functional theory level to be molecular bowls (n 1⁄4 8–14) hosting a transition metal atom (M) inside or molecular tires (n 1⁄4 14) centered with a transition metal atom. Small Bn clusters prove to be effective inorganic ligands to all the VB–VIIIB transition metal elements in the periodic table. Density functional evidences ob...

Introduction Atomic Structures and Properties Electronic configurations Radii of atoms and ions Ionisation enthalpies Oxidation states Compound formation in maximum oxidation states Stability of compounds in aqueous solution Magnetic properties Coloured ion formation Alloy formation Interstitial compound formation Coordination Compounds Types of ligands Homleptic and heteroleptic complexes Coor...

In this work, we report results of calculations based on the density functional theory of different species metal-ozone, containing mercury, silver and gold. The chosen species range from small molecules and large transition-metal containing ozone with mercury, silver and gold complexes. A comparative analysis of the description of the metal-oxygen bond obtained by different methodologies is pr...

The discovery of cisplatin as a therapeutic agent stimulated a new era in the application of transition metal complexes for therapeutic design. Here we describe recent results on a variety of transition metal complexes targeted to DNA to illustrate many of the issues involved in new therapeutic design. We describe first structural studies of complexes bound covalently and non-covalently to DNA ...