Aufsatz
Relativistic effects in physics and chemistry of element 105. [Part] I.
(Periodicities in properties of group 5 elements)
Zusammenfassung
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.
Zitierform
In: Journal of chemical physics. Melville, NY : AIP. 96 (1992), Nr. 11, S. 8367-8378Zitieren
@article{urn:nbn:de:hebis:34-2008080623137,
author={Pershina, Valerija G. and Sepp, Wolf-Dieter and Fricke, Burkhard and Rosén, Arne},
title={Relativistic effects in physics and chemistry of element 105. [Part] I.},
year={1992}
}
0500 Oax 0501 Text $btxt$2rdacontent 0502 Computermedien $bc$2rdacarrier 1100 1992$n1992 1500 1/eng 2050 ##0##urn:nbn:de:hebis:34-2008080623137 3000 Pershina, Valerija G. 3010 Sepp, Wolf-Dieter 3010 Fricke, Burkhard 3010 Rosén, Arne 4000 Relativistic effects in physics and chemistry of element 105. [Part] I. :Periodicities in properties of group 5 elements / Pershina, Valerija G. 4030 4060 Online-Ressource 4085 ##0##=u http://nbn-resolving.de/urn:nbn:de:hebis:34-2008080623137=x R 4204 \$dAufsatz 4170 7136 ##0##urn:nbn:de:hebis:34-2008080623137
2008-08-06T13:47:13Z 2008-08-06T13:47:13Z 1992 0021-9606 urn:nbn:de:hebis:34-2008080623137 http://hdl.handle.net/123456789/2008080623137 1126218 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] I. Aufsatz 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. open access Periodicities in properties of group 5 elements Electronic structure of the pentachlorides In: Journal of chemical physics. Melville, NY : AIP. 96 (1992), Nr. 11, S. 8367-8378 Pershina, Valerija G. Sepp, Wolf-Dieter Fricke, Burkhard Rosén, Arne
Die folgenden Lizenzbestimmungen sind mit dieser Ressource verbunden:
:Urheberrechtlich geschützt