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Title: Relativistic effects in physics and chemistry of element 105. [Part] I.
Other Titles: Periodicities in properties of group 5 elementsElectronic structure of the pentachlorides
Authors: Pershina, Valerija G.Sepp, Wolf-DieterFricke, BurkhardRosén, Arne
???metadata.dc.subject.ddc???: 530 - Physik (Physics)
Issue Date: 1992
Publisher: American Institute of Physics
Citation: In: Journal of chemical physics. Melville, NY : AIP. 96 (1992), Nr. 11, S. 8367-8378
Abstract: A detailed study of the electronic structure and bonding of the pentahalides of group 5 elements V, Nb, Ta, and element 105, hahnium (and Pa) has been carried out using relativistic molecular cluster Dirac-Slater discrete-variational method. A number of calculations have been performed for different geometries and molecular bond distances. The character of the bonding has been analyzed using the Mulliken population analysis of the molecular orbitals. It is shown that hahnium is a typical group 5 element. In a great number of properties it continues trends in the group. Some peculiarities in the electronic structure of HaCl_5 result from relativistic effects.
URI: urn:nbn:de:hebis:34-2008080623137
ISSN: 0021-9606
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