Reaction of [(DIPePBDI)SrH]2 with C6H5X (X=Cl, Br, I) led to hydride-halogenide exchange (DIPePBDI=HC[(Me)CN-2,6-(3-pentyl)phenyl]2). Conversion rates increase increasing halogen size (F<Cl<Br<I). C6H5F was slow and ill-defined but addition C6H4F2 gave smooth hydride-fluoride exchange. After THF the full range Sr halogenides structurally characterized: [(DIPePBDI)SrX ? THF]2 (X=F, Cl, I). Mixtu...

The structures of two derivatives of the bisdioxine diisocyanate 1, the bisurea 4 and the biscarbamate 5, are established by X-ray crystallography and DFT calculations. These compounds possess endo,endo structures, in the case of the bisurea 4 with two nearly parallel pendant chains. The X-ray structures are reproduced very well by DFT calculations. Similar endo,endo conformations are calculate...

In this work, we analyze the geometry and electronic structure of the [X(n)M(3)](n-2) species (M = Be, Mg, and Ca; X = Li, Na, and K; n = 0, 1, and 2), with special emphasis on the electron delocalization properties and aromaticity of the cyclo-[M(3)](2-) unit. The cyclo-[M(3)](2-) ring is held together through a three-center two-electron bond of sigma-character. Interestingly, the interaction ...

Infrared laser action spectroscopy is used to characterize divalent Mg, Ca, and Ba ions solvated by discrete numbers of water molecules in the gas phase. The spectra of the hexahydrated ions are very similar and indicate that all six water molecules directly solvate the metal ion. The spectra of the heptahydrated ions indicate the presence of populations of structures that have a water molecule...

The ability of dead cells of endophytic Drechslera hawaiiensis of Morus alba L. grown in heavy metals habitats for bioremoval of cadmium (Cd2+), copper (Cu2+), and lead (Pb2+) in aqueous solution was evaluated under different conditions. Whereas the highest extent of Cd2+ and Cu2+ removal and uptake occurred at pH 8 as well as Pb2+ occurred at neutral pH (6-7) after equilibrium time 10 min. Ini...

The van der Waals coefficients, C6 , C8, and C10 for the alkali-metal ~Li, Na, K, and Rb! and alkaline-earthmetal ~Be, Mg, Ca, and Sr! atoms are estimated by a combination of ab initio and semiempirical methods. Polarizabilities and atom-wall coefficients are given as a diagnostic check, and the lowest order nonadiabatic dispersion coefficient, D8 and the three-body coefficient, C9 are also pre...

We introduce four new molecules—YbRb, YbCs, YbSr+, and YbBa+—that may prove fruitful in experimental searches for the electric-dipole moment EDM of the electron. These molecules can, in principle, be prepared at extremely low temperatures by photoassociating ultracold atoms and therefore may present an advantage over molecular-beam experiments. Here we discuss properties of these molecules and ...