منابع مشابه
Energetics and reactivity of small beryllium deuterides
Enthalpies and free energies of reaction for small neutral and charged beryllium deuterides BeD, BeD2, and BeD3 that have been calculated are reported for a temperature range of 0 K to 1000 K. We discuss probable dissociation channels and possible ways of producing BeD by localizing the relevant transition states and by calculating corresponding rate constants. BeD and BeD+ are found to be the ...
متن کاملRadon hydrides: structure and bonding.
Quantum chemical calculations, using gradient-correct density functional at the BP86 level in conjunction with TZ2P basis sets, have been carried out for the radon hydrides HRnY (with Y = F, Cl, Br, I, CCH, CN, and NC). The bonding in HRnY is studied using different bond ruptures, establishing the role of those stabilizing (and destabilizing) factors that prevent these species to be dissociated...
متن کاملBonding in Boron Hydrides
Unique preferred localized valence structures for B2H6, B4H10, B5H,, and B6H10 have been found from accurate self-consistent field wavefunctions by maximizing Coulomb repulsions of electron pairs within orbitals. Objective evidence has thus been obtained for two-centre BH, three-centre bridge BHB, two-centre BB and central three-centre BBB bonds, but not, as yet, for open three-centre BBB bonds...
متن کاملEuropium palladium hydrides.
The first fully structurally characterized ternary europium palladium hydrides (deuterides) are reported. The most Eu rich compound is Eu(2)PdD(4). Its beta-K(2)SO(4) type structure (space group Pnma, a = 749.47(1) pm, b = 543.34(1) pm, c = 947.91(1) pm, Z = 4) contains tetrahedral 18-electron [PdD(4)](4)(-) complex anions and divalent Eu cations. The compound is presumably nonmetallic and show...
متن کاملSynthesis and characterisation of Zintl hydrides
The synthesis, structural characterisation and the properties of the Zintl hydrides AeE2H2 and AeAlSiH (Ae = Ba, Ca, Sr; E = Al, Ga, In, Si, Zn) are reported. The first hydride in this class of compounds is SrAl2H2 which was discovered under an experiment by Gingl, who hydrogenated SrAl2 at various temperatures. (Gingl et al, Journal of Alloys and Compounds 306 (2000) 127-132). The intention wa...
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ژورنال
عنوان ژورنال: Materials Research Bulletin
سال: 1982
ISSN: 0025-5408
DOI: 10.1016/0025-5408(82)90008-3