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Relativistic effects in physics and chemistry of element 105. [Part] I.
(Periodicities in properties of group 5 elements)
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.
Citation
In: Journal of chemical physics. Melville, NY : AIP. 96 (1992), Nr. 11, S. 8367-8378Citation
@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}
}
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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
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