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Title: Relativistic effects in physics and chemistry of element 105. [Part] II.
Other Titles: Electronic structure and properties of group 5 elements bromides
Authors: Pershina, Valerija G.Sepp, Wolf-DieterFricke, BurkhardKolb, DietmarSchädel, M.Ionova, Galina V.
???metadata.dc.subject.ddc???: 530 - Physik (Physics)
Issue Date: 1992
Publisher: American Institute of Physics
Citation: In: Journal of chemical physics. Melvillle, NY : AIP. 97 (1992), Nr. 2, S. 1116-1122
Abstract: Relativistic self-consistent charge Dirac-Slater discrete variational method calculations have been done for the series of molecules MBr_5, where M = Nb, Ta, Pa, and element 105, Ha. The electronic structure data show that the trends within the group 5 pentabromides resemble those for the corresponding pentaclorides with the latter being more ionic. Estimation of the volatility of group 5 bromides has been done on the basis of the molecular orbital calculations. According to the results of the theoretical interpretation HaBr_5 seems to be more volatile than NbBr_5 and TaBr_5.
URI: urn:nbn:de:hebis:34-2008080623127
ISSN: 0021-9606
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