Datum
1992Autor
Pershina, Valerija G.Sepp, Wolf-DieterFricke, BurkhardKolb, DietmarSchädel, M.Ionova, Galina V.Schlagwort
530 PhysikMetadata
Zur Langanzeige
Aufsatz
Relativistic effects in physics and chemistry of element 105. [Part] II.
(Electronic structure and properties of group 5 elements bromides)
Zusammenfassung
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.
Zitierform
In: Journal of chemical physics. Melvillle, NY : AIP. 97 (1992), Nr. 2, S. 1116-1122Zitieren
@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.},
year={1992}
}
0500 Oax 0501 Text $btxt$2rdacontent 0502 Computermedien $bc$2rdacarrier 1100 1992$n1992 1500 1/eng 2050 ##0##urn:nbn:de:hebis:34-2008080623127 3000 Pershina, Valerija G. 3010 Sepp, Wolf-Dieter 3010 Fricke, Burkhard 3010 Kolb, Dietmar 3010 Schädel, M. 3010 Ionova, Galina V. 4000 Relativistic effects in physics and chemistry of element 105. [Part] II. :Electronic structure and properties of group 5 elements bromides / Pershina, Valerija G. 4030 4060 Online-Ressource 4085 ##0##=u http://nbn-resolving.de/urn:nbn:de:hebis:34-2008080623127=x R 4204 \$dAufsatz 4170 7136 ##0##urn:nbn:de:hebis:34-2008080623127
2008-08-06T13:29:18Z 2008-08-06T13:29:18Z 1992 0021-9606 urn:nbn:de:hebis:34-2008080623127 http://hdl.handle.net/123456789/2008080623127 705335 bytes application/pdf eng American Institute of Physics Urheberrechtlich geschützt https://rightsstatements.org/page/InC/1.0/ 530 Relativistic effects in physics and chemistry of element 105. [Part] II. Aufsatz 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. open access Electronic structure and properties of group 5 elements bromides In: Journal of chemical physics. Melvillle, NY : AIP. 97 (1992), Nr. 2, S. 1116-1122 Pershina, Valerija G. Sepp, Wolf-Dieter Fricke, Burkhard Kolb, Dietmar Schädel, M. Ionova, Galina V.
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