A set of 41 metal-ligand bond distances in 25 third-row transition-metal complexes, for which precise structural data are known in the gas phase, is used to assess optimized and zero-point averaged geometries obtained from DFT computations with various exchange-correlation functionals and basis sets. For a given functional (except LSDA) Stuttgart-type quasi-relativistic effective core potential...

The mixed-ligand complexes of various metal(II) with 5-chloro-7-iodo-8-hydroxyquinoline (Clioquinol) and 5-(methoxymethyl-8-quinolinol) (MMQ) were prepared. The structure of mixed-ligand complexes was investigated using spectral, physicochemical, elemental analyses and thermal studies. Magnetic moment and reflectance spectral studies reveal that an octahedral geometry has been assigned to all t...

A series of cobalt, nickel, copper, and zinc complexes of bidentate Schiff bases derived from the condensation reaction of 4-amino-5-mercapto-3-methyl/ethyl-1,2,4-triazole with 2,4-dichlorobenzaldehyde were synthesized and tested as antimicrobial agents. The synthesized Schiff bases and their metal complexes were characterized with the aid of elemental analyses, magnetic moment measurements, sp...

Schiff bases and their metal complexes are very important in medicinal and pharmaceutical fields because of their wide spectrum of biological activities. Transition metal complexes derived from the Schiff base ligands with biological activity have been widely studied. A series of Ni (II) complexes were prepared by the reaction of salicyldimine with Nickel Oxide at room temperature. The chemical...

abstract: two new transition metal complexes, containing the acidic ligand 5-chlorosalicylic acid (h2l5), and 1,10-phenanthroline（phen） and 1,3-di(4-pyridyl)propane (bpp) as secondary ligands are reported. they are formulated as {[pb(hl5)2(phen)(h2o)]·h2o}n(1), [zn2(hl5)4(bpp)2]n(2). all the complexes are characterized by single-crystal x-ray diffractions. compoud 1 crystallizes in the triclini...

We describe here a short and efficient synthetic route for incorporating terpyridine based metal complexes at the 3'-extremity of both single and bis-oligonucleotide (bis-ODN) stretches to form novel metal complex-ODN conjugates. All single stranded mono and bis-ODN tethered metal complexes and the respective duplex ODNs were characterized by circular dichroism spectroscopy and UV-Vis melting e...

Solid-state metal hydrides provide a safe and efficient way of storing hydrogen (Schlapbach 2002). They are commercialized for use in rechargeable batteries and developed for energy conversion devices such as fuel cells (see Hydrogen Metal Systems: Electrochemical Reactions). A great majority of metal hydrides derives from intermetallic compounds and alloys (see Hydrogen Metal Systems: Hydride ...

A wide range of transition metal imido (TMI) complexes is studied using ab initio molecular orbital (MO) calculations. The main computational point of interest is the further testing of effective core potentials (ECPs) and valence basis sets to allow for the accurate calculation of properties for reasonably sized transition metal complexes. On the chemical side, several results from the study a...

some new symmetrical tetraaza schiff base ligands containing 2-quinolinecarboxaldehyde moiety formed from condensation reaction of 2-quinolinecarboxaldehyde and o-phenylenediamine derivatives, such as n, nˊ-bis(2-quinolylmethylidene)-4-methoxy-1, 2-phenylenediimine (l1), n, nˊ-bis(2-quinolylmethylidene)-4-methy-1, 2-phenylenediimine (l2), n, nˊ-bis(2-quinolylmethylidene)-4-chloro-1, 2-phenylene...

Of all properties of metal nucleobase complexes, formation of multinuclear species appears to be an outstanding feature. After a brief introduction into well known polymeric metal nucleobase complexes, three aspects recently Studied in our laboratory will be dealt with in more detail: (i) Heteronuclear complexes derived from trans-[(amine)(2)Pt(1-MeC)(2)](2+) (1-MeC=1-methylcytosine). They form...