Stibine as a reagent in molecular chemistry - targeted synthesis of primary and secondary stibanyl-gallanes and their lighter homologues

For the first time, SbH3 has been successfully used as a synthon in molecular chemistry. The reaction of SbH3 with (Dipp2NacNac)Ga proceeds under the oxidative addition of a Sb–H bond to the gallium atom.

Interaction of 1,1-Diamino-2,2-Dinitroethylene and Gallium - DFT Treatment

1,1-diamino-2,2-dinitroethylene, commonly known as FOX-7, is an insensitive pull-push type explosive of nitramine class. Aluminized FOX-7, depending on its Al content and multiplicity was found to be susceptible to decomposition. Gallium atom, a third group element below Al, also has an open shell electronic configuration. The present study considers FOX-7+nGa composites (n:1-3) and within the constraints of density functional theory at the level of UB3LYP/6-311++G(d,p) it has been found that gallium atom does not initiate any bond rupture. However, certain distortions in bond lengths and angles occur which might have some effect on the ballistic properties of FOX-7. Certain geometrical, quantum chemical and energy values of the composites as well as some spectral properties are presented.

Theoretical study of energy levels of atomic Ga

There are few documented values of the energy levels of the gallium atom. The values in some series remain blank and some series have no values in high Rydberg states. In this paper, based on the weakest bound electron potential model theory we treat the many-valence electron system of the excited gallium atom as a single-electron system of the weakest bound electron and use Martin's expression to determine the parameters. Most of the results are satisfying with deviations less than 1 cm–1 compared with the documented values in the National Institute of Standards and Technology. In addition, we fill many blanks in some high Rydberg energy levels of the gallium atom. PACS Nos.: 31.15.Ct, 32.10.Fn

Ternary Gallides REMgGa (RE = Y, La, Pr, Nd, Sm–Tm, Lu) – Synthesis and Crystal Chemistry

The title compounds have been synthesized by reacting the elements in sealed niobium or tantalum tubes in a high-frequency furnace. They crystallize with the hexagonal ZrNiAl type structure, space group P62m. All gallides have been characterized through their X-ray powder diffractogram. The cell volume decreases from the lanthanum to the lutetium compound as expected from the lanthanoid contraction. The structures of LaMgGa, PrMgGa, NdMgGa, SmMgGa and TmMgGa have been refined from single crystal diffractometer data. The structures contain two crystallographically independent gallium sites which both have a trigonal prismatic coordination: Ga1 by six RE and Ga2 by six Mg atoms. These trigonal prisms are capped on the rectangular sites by three Mg (RE) atoms, leading to coordination number 9 for each gallium atom. Together, the gallium and magnesium atoms form a three-dimensional [MgGa] network in which the rare earth atoms fill distorted hexagonal channels. Within the network the magnesium atoms have short Mg-Mg contacts, i. e. 312 pm in SmMgGa. The Mg-Ga distances in that gallide range from 284 to 287 pm. Bonding in the network is thus governed by strong Mg-Ga and Mg-Mg bonding. EuMgGa crystallizes with the orthorhombic TiNiSi type: Pnma, a = 783.1(2), b = 472.8(1), c = 829.8(2) pm.