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Relativistic effects in physics and chemistry of element 105. [Part] II.

Pershina, Valerija G.
Sepp, Wolf-Dieter
Fricke, Burkhard
Kolb, Dietmar
Schädel, M.
Ionova, Galina V.

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.

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@article{urn:nbn:de:hebis:34-2008080623127,
  author    ={Pershina, Valerija G. and Sepp, Wolf-Dieter and Fricke, Burkhard and Kolb, Dietmar and Schädel, M. and Ionova, Galina V.},
  title    ={Relativistic effects in physics and chemistry of element 105. [Part] II.},
  copyright  ={https://rightsstatements.org/page/InC/1.0/},
  language ={en},
  year   ={1992}
}