The thiolate-for-thiolate ligand exchange was performed on well-defined gold nanoparticles under an inert atmosphere without any modification of the core size. This reaction is faster than the well-known core etching. Surprisingly, if a chiral thiol is exchanged for its opposite enantiomer, the optical activity in the metal-based electronic transitions is reversed although the form of the CD sp...

Generalized valence bond plus configuration interaction calculations have been carried out on the monopositive diatomic metal hydride ions of the second transition-metal series (YH+-CdH+, including SrH'). We analyze the trends in bond energies, equilibrium geometries, vibrational frequencies, and metal orbital hybridizations. The trends in these quantities can be understood in terms of (1) the ...

Cadmium and lead are highly toxic metals. People are exposed to them primarily through food and water. Available conventional methods (precipitation, flocculation, ion exchange, and membrane filtration) for removal of these metals from water at low concentrations are claimed to be expensive and inefficient. Different microbes have been proposed to be an efficient and economical alternative in h...

A novel cation exchange fiber supported solid membrane was developed for transport of cobalt, manganese and nickel metal ions. Fiber supported solid membrane was prepared by chemically modifying the cellulose fibers with citric acid. In the fiber supported solid membrane, the diffusion by capillary action by keeping the liquid phase in the porous solid fiber and ion exchange mechanism were used...

Computational chemistry has recently introduced the improved reaction field theory and now is capable of evaluating the bulk solvent effect quite accurately. It is time to expand this capability to mixed solvents, as it is often extremely useful through is still not well understood. For example, the determination of rates of complexations of divalent metal ions with a tridentate metal-ion indic...

In this work, we introduce a novel concept of a borane group vicinal to a metal boryl bond acting as a supporting hemilabile ligand in exohedrally metalated three-dimensional carborane clusters. The (POBOP)Ru(Cl)(PPh3) pincer complex (POBOP 1⁄4 1,7-OP(i-Pr)2-m-2-carboranyl) features extreme distortion of the two-center-two-electron Ru–B bond due to the presence of a strong three-centertwo-elect...

A series of adsorption tests were conducted to analyze the sorption capacity of attapulgite. Ions such as cobalt, nickel, lead and cadmium were adsorbed from waste solutions onto attapulgite surface. Adsorption depletion tests were performed as a function of solid to liquid ratio, conditioning time, heavy metal ion concentration, and pH to identify the mode and extent of interactions in the sys...

It is well known that the kinetic exchange interaction between single-occupied magnetic orbitals (s-s) is always antiferromagnetic, while between single- and double-occupied orbitals (s-d) is always ferromagnetic and much weaker. Here we show that the exchange interaction between strongly anisotropic doublets of lanthanides, actinides and transition metal ions with unquenched orbital momentum c...

The behavior of the surface barrier that forms at the metal-vacuum interface is important for several fields of surface science. Within the density functional theory framework, this surface barrier has two nontrivial components: exchange and correlation. Exact results are provided for the exchange component, for a jellium metal-vacuum interface, in a slab geometry. The Kohn-Sham exact-exchange ...

Adsorption has been proved to be an excellent way to treat industrial waste effluents, offering significant advantages like the low-cost, availability, profitability, easy of operation and efficiency. Biosorption of heavy metals from aqueous solutions is a relatively new process that has proven very promising in the removal of contaminants from aqueous effluents. Biosorption is becoming a poten...