Electronic structures hydride elements

Boron Hydrides Boron Inorganic Chemistry Boron Organoboranes Boron Polyhedral Carboranes Cluster Compounds Inorganometalhc Compounds Containing Transition Metal Main Group Elements Electronic Structure of Main-group Compounds. 

The dominant structural patterns found in alkyl and aromatic hydrocarbons are reflections of the structures of elemental carbon (diamond or graphite) where added hydrogen atom across the C-C bonds gives electron precise-carbon hydrides. In a similar way the... 

Another group of methods successfully used for calculations of the electronic structures of the heaviest element molecules are effective core potentials (ECP) (see the Chapters of M. Dolg and Y.-S. Lee in these issues). The relativistic ECPs (RECP) were applied to calculations of the electronic structures of halides and oxyhalides of Rf and Sg and of some simple compounds (mostly hydrides and fluorides) of elements 113 through 118 [126-131]. Using energy-adjusted pseudo-potentials (PP) [132] electronic structures and properties, and the influence of relativistic effects were studied for a number of compounds of elements at the end of the 6d series (elements 111 and 112), as well as at the beginning of the 7p series (elements 113 and 114) (see Refs. 26 and 133 for reviews and references therein). Some other methods, like the Douglas-Kroll-Hess (DKH) [134], were also used for calculations of small heaviest-element species (e.g. IIIH [95]). 

The materials mentioned in this section have in common that they were derived from intermetallic compounds, which acted as precursors for the active species. The selective etching of the compounds leads to Raney-type catalysts, whereas the controlled oxidation results in catalysts that consist of supported transition metals on oxides. Both systems have the common advantage that the transition metal of the intermetallic compound can be obtained in a finely divided state, resulting in a high specific activity. However, the catalytic properties such as selectivity and deactivation behavior often resemble to those of the underlying transition elements. A different approach is the use of intermetallic compounds with the ability to form hydrides. But also in this case, the catalytically active species is not the intermetallic compound, but its hydride, which possesses different properties, for example, the highly active hydridic hydrogen atoms as well as a different crystal and electronic structure. 

Nash, C.S., Bursten, B.E. Spin-orbit, VSEPR theory, and the electronic structure of heavy and superheavy group IVA hydrides and group VIIIA tetrafluorides. A partial role reversal for elements 114 and 118. J. Phys. Chem. A 103, 402-410 (1999)... 

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