Effective crystal field for trivalent first transition row ions

Catalyzed Oxidation of Cyclohexene and Cyclooctene with First Row Transition etallophthalocyanines

First row transition metal complexes of phthalocyanine are employed as catalysts for the oxidation of cyclohexene and cyclooctene using iodosylbenzene and pentafluoroiodosyl benzene. The catalysis was performed in dichloromethane: methanol:water (80:18:2) solvent mixture.  The products of the catalysis for cyclohexene are epoxycyclohexane, 2-cyclohexene-1-ol and 2-cyclohexene-1-one whereas ...

Density Functional Calculations on First-Row Transition Metals

The excitation energies and ionization potentials of the atoms in the first transition series are notoriously difficult to compute accurately. Errors in calculated excitation energies can range from 1–4 eV at the Hartree-Fock level, and errors as high as 1.5eV are encountered for ionization energies. In the current work we present and discuss the results of a systematic study of the first trans...

Theoretical studies of the first-row transition metal phosphides

Fluorescent, MRI, and colorimetric chemical sensors for the first-row d-block metal ions.

Transition metals (d-blocks) are recognized as playing critical roles in biology, and they most often act as cofactors in diverse enzymes; however, improper regulation of transition metal stores is also connected to serious disorders. Therefore, the monitoring and imaging of transition metals are significant for biological research as well as clinical diagnosis. In this article, efforts have be...

Absorption spectroscopy and binding constants for first-row transition metal complexes of a DOPA-containing peptide.

A diverse array of biological systems incorporate 3,4-dihydroxyphenlyalanine (DOPA) into proteins and small molecules for cross-linking and material generation. Marine worm eggshells, sea squirt wound plugs, and marine mussel adhesives may all be formed by combining DOPA-containing molecules with high levels of metals. In order to provide model systems for characterizing these biomaterials, we ...